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
4.2794 -1.3522 0.5426 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7099 -0.1876 0.3913 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2811 -0.0447 0.1141 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7709 1.2246 -0.0298 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4339 1.4280 -0.2917 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4608 0.3897 -0.4237 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0520 -0.8856 -0.2791 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4088 -1.0997 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8749 0.5456 -0.6986 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7833 0.6665 0.4653 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0955 0.8080 0.0082 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7604 -0.6182 1.2906 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7756 -2.3097 0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3347 -1.4084 0.7455 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3374 0.7023 0.4779 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4343 2.0870 0.0647 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0334 2.4211 -0.4046 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5581 -1.7827 -0.3621 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8046 -2.0945 0.0991 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0075 1.4524 -1.3501 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2138 -0.3101 -1.3206 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5898 1.4850 1.1505 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1403 1.6876 -0.4373 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2021 -1.4671 0.7673 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2634 -0.4549 2.2812 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7060 -0.8826 1.5438 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