Monomers
1-(4-Vinylphenyl)-2-propanol
Identifiers
IUPAC name
1-(4-ethenylphenyl)propan-2-ol
InchI
InChI=1S/C11H14O/c1-3-10-4-6-11(7-5-10)8-9(2)12/h3-7,9,12H,1,8H2,2H3
InchI Key
LLWNVRSHEMAPGD-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)CC(O)C
Canonical SMILES
CC(CC1=CC=C(C=C1)C=C)O
Isomeric SMILES
CC(CC1=CC=C(C=C1)C=C)O
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
2.2529
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
-4.3495 0.7466 -0.2691 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6389 -0.1855 0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2157 -0.3094 0.0103 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4862 -1.3386 0.6289 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1441 -1.4852 0.3996 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5636 -0.6489 -0.4362 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1631 0.3529 -1.0339 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5318 0.5388 -0.8287 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0077 -0.8340 -0.6614 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8594 -0.0684 0.3211 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6352 -0.4362 1.6289 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6763 1.4267 0.1439 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9457 1.4701 -0.9386 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4057 0.8161 -0.0529 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1010 -0.9028 0.9576 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0275 -2.0038 1.2881 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3720 -2.2969 0.9027 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3533 1.0368 -1.7015 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0404 1.3574 -1.3390 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2454 -1.9090 -0.5583 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3073 -0.5345 -1.6775 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9230 -0.3411 0.0874 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1157 0.2019 2.2099 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1099 1.7386 -0.8296 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2598 1.9177 0.9448 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6211 1.6907 0.2565 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
6 9 1 0
9 10 1 0
10 11 1 0
10 12 1 0
8 3 1 0
1 13 1 0
1 14 1 0
2 15 1 0
4 16 1 0
5 17 1 0
7 18 1 0
8 19 1 0
9 20 1 0
9 21 1 0
10 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