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
-2.7753 0.1806 1.5348 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8623 0.7323 0.2742 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0204 -0.0030 -0.7563 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5805 0.0131 -0.3767 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1896 -0.6349 0.7667 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1384 -0.6262 1.1276 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1021 0.0318 0.3507 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6600 0.6636 -0.7814 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3327 0.6582 -1.1475 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4672 -0.0035 0.7923 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4370 0.5724 0.1492 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4532 -1.4225 -0.9560 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6087 0.8961 2.2027 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4807 1.7917 0.2635 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8988 0.7906 -0.0912 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1495 0.5557 -1.7169 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8713 -1.1653 1.4191 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4537 -1.1456 2.0446 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4069 1.1808 -1.3952 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0548 1.1741 -2.0483 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7275 -0.5349 1.7117 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2569 1.1090 -0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4592 0.5364 0.4950 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0910 -2.0716 -0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9622 -1.7913 -1.8829 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5529 -1.4876 -1.0926 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