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
-4.5627 -0.7134 0.5557 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7615 -0.0802 -0.2599 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3368 0.1236 -0.0367 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7016 -0.3527 1.0916 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3514 -0.1282 1.2461 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3708 0.5589 0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2386 1.0461 -0.8373 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5926 0.8224 -0.9949 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8188 0.7861 0.4904 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6361 -0.3570 -0.1156 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2315 -1.5135 0.5497 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0794 -0.1058 0.3065 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2269 -1.1440 1.4766 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6105 -0.8261 0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1753 0.3376 -1.1901 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2662 -0.9077 1.8634 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1226 -0.5224 2.1585 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3523 1.5847 -1.5686 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0775 1.2090 -1.8981 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1384 1.7396 0.0121 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0955 0.8148 1.5740 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5075 -0.3984 -1.1960 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3691 -1.8569 0.1952 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7909 -0.7313 -0.2503 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2711 0.9772 0.1498 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1176 -0.3624 1.3957 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