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
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
-3.8788 -0.7175 0.9884 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5104 -0.6243 0.9105 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0243 -0.3044 -0.4987 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5416 -0.2343 -0.4339 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2011 -1.1226 -1.1852 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5740 -1.0636 -1.1302 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2320 -0.1377 -0.3419 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5144 0.7532 0.4118 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1210 0.6794 0.3441 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6770 -0.1058 -0.3097 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3715 0.7400 0.4109 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5986 0.9790 -1.0143 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3357 -0.7497 0.1073 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1195 0.1389 1.6101 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0477 -1.6243 1.1553 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2939 -1.1206 -1.1924 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2959 -1.8663 -1.8183 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1356 -1.7876 -1.7427 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9635 1.5195 1.0638 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4804 1.3819 0.9383 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2151 -0.8321 -0.9242 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9436 1.4862 1.0428 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4633 0.7166 0.3949 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6087 1.7823 -0.2429 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6500 0.8358 -1.3322 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0268 1.2778 -1.9138 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