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
   -2.5205    1.8273   -0.1009 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7024    0.8519    0.8395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0571   -0.4663    0.5012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5885   -0.3619    0.3349 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2855   -1.0381    1.1644 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6492   -0.9384    1.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2039   -0.1475   -0.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3135    0.5100   -0.8070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0750    0.4142   -0.6535 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6429   -0.0588   -0.1472 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2478    0.6560   -1.0609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7366   -1.0822   -0.6993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9032    2.5459    0.1584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3393    1.2336    1.8139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7922    0.6611    0.9307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2434   -1.1464    1.3577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1320   -1.6684    1.9672 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3540   -1.4627    1.6491 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6968    1.1418   -1.6109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7289    0.9620   -1.3269 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2993   -0.6161    0.5382 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3298    0.7090   -1.1534 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6603    1.2238   -1.7612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7589   -1.4075   -0.3798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8899   -0.3519   -1.5253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2153   -1.9906   -1.0338 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