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
   -4.0333    0.8270   -0.3396 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6436    0.9209   -0.4394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0160   -0.1476    0.4640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5377   -0.0457    0.3561 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0820   -0.2253   -0.8397 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4743   -0.1282   -0.9353 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2621    0.1471    0.1518 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5990    0.3269    1.3674 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2265    0.2326    1.4688 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7148    0.2573    0.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3984    0.0977   -1.0215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4984   -1.4746   -0.0348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3028    1.0825    0.5667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3269    0.7738   -1.4905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2700    1.9335   -0.1520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3309    0.0288    1.5122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4677   -0.4465   -1.7487 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9501   -0.2766   -1.9078 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2096    0.5463    2.2415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2540    0.3774    2.4251 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2478    0.4820    1.0330 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9647   -0.1234   -1.9802 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4755    0.1908   -1.0022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9189   -2.3309    0.3472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4181   -1.4650   -1.1548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5866   -1.5610    0.1743 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