Monomers
p-Phenoxystyrene
Identifiers
IUPAC name
1-ethenyl-4-phenoxybenzene
InchI
InChI=1S/C14H12O/c1-2-12-8-10-14(11-9-12)15-13-6-4-3-5-7-13/h2-11H,1H2
InchI Key
UULPGUKSBAXNJN-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)Oc1ccccc1
Canonical SMILES
C=CC1=CC=C(C=C1)OC2=CC=CC=C2
Isomeric SMILES
C=CC1=CC=C(C=C1)OC2=CC=CC=C2
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C14H12O
Heavy Atom Count
15
Molecular Weight
196.249
Exact Molecular Weight
196.0888
Valence Electrons
74
Radical Electrons
0
tPSA
9.23
MolLogP
4.1219
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
2
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
2
MOL File
RDKit 3D
27 28 0 0 0 0 0 0 0 0999 V2000
5.1986 -0.6018 -0.0233 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0308 -1.1152 -0.2425 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7610 -0.4454 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7188 0.8398 0.4678 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4871 1.4737 0.6806 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3097 0.8124 0.4051 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3358 -0.4768 -0.0816 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5666 -1.0653 -0.2772 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9074 1.4652 0.6253 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1122 0.8603 0.3707 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7797 0.9085 -0.8199 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9852 0.2913 -1.0418 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5388 -0.4116 0.0045 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9029 -0.4939 1.2383 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6934 0.1429 1.4130 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3095 0.3985 0.3570 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0958 -1.1636 -0.2160 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9984 -2.1435 -0.6317 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6028 1.4020 0.6994 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4822 2.4924 1.0654 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6084 -0.9605 -0.2849 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5842 -2.0894 -0.6639 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3470 1.4600 -1.6434 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5330 0.3142 -1.9731 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4863 -0.9155 -0.1183 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3901 -1.0591 2.0129 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1969 0.0805 2.3713 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 2 0
11 12 1 0
12 13 2 0
13 14 1 0
14 15 2 0
8 3 1 0
15 10 1 0
1 16 1 0
1 17 1 0
2 18 1 0
4 19 1 0
5 20 1 0
7 21 1 0
8 22 1 0
11 23 1 0
12 24 1 0
13 25 1 0
14 26 1 0
15 27 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers