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
-3.8829 -0.5424 1.3500 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5402 -0.6813 1.0381 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9817 0.5725 0.3886 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5454 0.2936 0.1066 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1643 -0.7068 -0.7521 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1519 -0.9958 -1.0388 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1708 -0.2525 -0.4424 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8194 0.7593 0.4250 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4694 1.0208 0.6895 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5624 -0.5489 -0.7378 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5883 0.0981 -0.2226 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7348 0.8190 -0.8903 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9943 -0.8174 2.3160 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9220 -0.8492 1.9646 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3876 -1.5647 0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0549 1.4126 1.1028 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9263 -1.2926 -1.2234 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4640 -1.7810 -1.7131 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5714 1.3807 0.9267 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2531 1.8082 1.3626 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7841 -1.3565 -1.4287 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4765 0.9140 0.4717 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6176 -0.1816 -0.4923 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3110 1.6545 -1.4720 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8052 0.9637 -0.6519 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6785 -0.1264 -1.4848 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