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
-2.5108 0.2348 1.7704 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8741 0.5857 0.4758 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0855 -0.1724 -0.5509 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6288 0.0603 -0.4512 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1156 0.6525 -1.4495 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4602 0.8670 -1.3569 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1619 0.4872 -0.2187 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4642 -0.1001 0.7883 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0894 -0.3079 0.6682 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5785 0.7232 -0.1438 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3207 0.4006 0.8852 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3913 -1.6410 -0.5505 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8084 0.8886 2.4322 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9382 0.2938 0.3552 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7859 1.6571 0.3317 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4074 0.2202 -1.5571 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3921 0.9636 -2.3534 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0342 1.3422 -2.1677 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9875 -0.4116 1.6997 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4217 -0.7749 1.4873 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0777 1.1945 -0.9778 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3969 0.5906 0.9185 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9384 -0.0747 1.7775 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3496 -2.1196 0.4275 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6325 -2.1460 -1.2018 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3989 -1.7571 -1.0383 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