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
5.2105 0.5438 -0.8766 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5002 -0.4973 -0.4773 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0551 -0.4789 -0.3018 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4259 -1.6141 0.1153 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0862 -1.6424 0.2915 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2506 -0.5212 0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9212 0.6040 -0.3573 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3144 0.6325 -0.5403 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0328 -0.6179 0.2515 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2285 -0.0876 0.2432 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5674 1.2029 -0.0992 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8807 1.6833 -0.0779 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8999 0.8483 0.2987 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5953 -0.4477 0.6470 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3131 -0.9225 0.6280 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2992 0.4553 -0.9865 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7957 1.5114 -1.1130 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0588 -1.4111 -0.2749 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0500 -2.5053 0.3027 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5990 -2.5303 0.6171 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4403 1.5279 -0.5724 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8056 1.5341 -0.8704 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7725 1.8701 -0.3977 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0869 2.7167 -0.3602 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9309 1.1797 0.3291 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4260 -1.0878 0.9419 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0787 -1.9458 0.9038 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