Monomers

1-(4-Ethenylphenyl)butan-2-ol

Identifiers

IUPAC name
1-(4-ethenylphenyl)butan-2-ol
InchI
InChI=1S/C12H16O/c1-3-10-5-7-11(8-6-10)9-12(13)4-2/h3,5-8,12-13H,1,4,9H2,2H3
InchI Key
CHDUJEXBCJDVMA-UHFFFAOYSA-N
SMILES
CCC(Cc1ccc(cc1)C=C)O
Canonical SMILES
CCC(CC1=CC=C(C=C1)C=C)O
Isomeric SMILES
CCC(CC1=CC=C(C=C1)C=C)O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C12H16O
Heavy Atom Count
13
Molecular Weight
176.259
Exact Molecular Weight
176.1201
Valence Electrons
70
Radical Electrons
0
tPSA
20.23
MolLogP
2.643
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 29 29  0  0  0  0  0  0  0  0999 V2000
   -4.5185   -0.4823   -0.6542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5153    0.2975    0.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0805   -0.1412   -0.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1844    0.7261    0.7008 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2529    0.3927    0.5184 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8507   -0.5599    1.3221 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1637   -0.9304    1.2267 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9698   -0.3207    0.2635 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3937    0.6310   -0.5473 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0446    0.9903   -0.4263 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3764   -0.7248    0.1691 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2214   -0.2188   -0.6965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8017    0.1653   -1.4826 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9878   -1.2347   -1.2720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1841    0.1587   -1.2850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2136   -1.0554    0.0263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7337    0.1552    1.2217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6424    1.3743   -0.0630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9675   -1.2027    0.0511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3435    1.7980    0.5378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4242    0.5291    1.7767 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2559   -1.0524    2.0789 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6216   -1.6837    1.8679 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0096    1.1069   -1.2942 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6584    1.7299   -1.0797 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7440   -1.4963    0.8638 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2403   -0.5694   -0.7024 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9185    0.5373   -1.3990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1244    1.0804   -1.6995 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  8 11  1  0
 11 12  2  3
  3 13  1  0
 10  5  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  2 17  1  0
  2 18  1  0
  3 19  1  0
  4 20  1  0
  4 21  1  0
  6 22  1  0
  7 23  1  0
  9 24  1  0
 10 25  1  0
 11 26  1  0
 12 27  1  0
 12 28  1  0
 13 29  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers