Monomers

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

Identifiers

IUPAC name
2-(4-ethenylphenyl)propan-1-ol
InchI
InChI=1S/C11H14O/c1-3-10-4-6-11(7-5-10)9(2)8-12/h3-7,9,12H,1,8H2,2H3
InchI Key
IWONVDRULKJRQP-UHFFFAOYSA-N
SMILES
OCC(c1ccc(cc1)C=C)C
Canonical SMILES
CC(CO)C1=CC=C(C=C1)C=C
Isomeric SMILES
CC(CO)C1=CC=C(C=C1)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H14O
Heavy Atom Count
12
Molecular Weight
162.232
Exact Molecular Weight
162.1045
Valence Electrons
64
Radical Electrons
0
tPSA
20.23
MolLogP
2.4254
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

 26 26  0  0  0  0  0  0  0  0999 V2000
   -2.3634    1.4431   -1.2803 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7139    0.1336   -0.9172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0978   -0.1183    0.4620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6163    0.0331    0.3746 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1577   -0.7384   -0.4643 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5448   -0.5492   -0.5018 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1428    0.4001    0.2913 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3607    1.1923    1.1508 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0110    0.9768    1.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5718    0.6105    0.2670 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542   -0.0851   -0.5023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4624   -1.5018    0.9567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0541    2.0267   -0.8850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8127    0.0101   -0.8232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2886   -0.5968   -1.6312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5028    0.6043    1.1983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2967   -1.4816   -1.0874 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0963   -1.1848   -1.1797 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8177    1.9434    1.7808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6293    1.5741    1.8138 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9707    1.3956    0.9377 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4241    0.1186   -0.4774 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9897   -0.8390   -1.1492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3772   -2.1924    0.0958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4924   -1.4338    1.3640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7338   -1.7412    1.7728 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  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  7 10  1  0
 10 11  2  3
  3 12  1  0
  9  4  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  3 16  1  0
  5 17  1  0
  6 18  1  0
  8 19  1  0
  9 20  1  0
 10 21  1  0
 11 22  1  0
 11 23  1  0
 12 24  1  0
 12 25  1  0
 12 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers