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
-3.5893 -1.1565 1.9733 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3114 -1.2256 1.4417 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9265 0.1402 0.8772 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5539 0.1038 0.2947 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5357 -0.2817 1.0407 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8246 -0.3348 0.5626 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0191 0.0323 -0.7775 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9713 0.4218 -1.5586 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3178 0.4553 -1.0134 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3589 -0.0200 -1.2884 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6811 0.2959 -2.5207 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9340 1.1254 2.0140 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2466 -1.4338 1.2956 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5893 -1.5257 2.2499 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3333 -1.9801 0.6299 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6706 0.4609 0.1448 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3526 -0.5620 2.0788 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6632 -0.6463 1.1863 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0679 0.7160 -2.6017 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1534 0.7687 -1.6464 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1970 -0.3380 -0.6451 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7112 0.2428 -2.8705 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9325 0.6140 -3.2073 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8749 1.2715 2.3743 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3156 2.1212 1.6624 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4985 0.7347 2.8803 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