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
5.0801 -0.9649 0.6997 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5039 -0.0474 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0716 0.1642 -0.1391 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5911 1.1720 -0.9527 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2451 1.3828 -1.0619 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2809 0.6252 -0.3852 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7835 -0.3695 0.4175 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1552 -0.6038 0.5444 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0124 0.9454 -0.5849 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2083 0.4122 -0.3865 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4749 -0.9126 -0.1692 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7656 -1.4150 0.0386 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8279 -0.5672 0.0288 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6139 0.7649 -0.1848 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3437 1.2473 -0.3873 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1589 -1.0702 0.7339 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4934 -1.6327 1.2834 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1510 0.6147 -0.6160 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3223 1.7881 -1.5004 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8850 2.1714 -1.6993 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1253 -0.9980 0.9953 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5139 -1.3852 1.1759 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7040 -1.6581 -0.1621 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9369 -2.4557 0.2059 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8328 -0.9326 0.1870 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4780 1.4282 -0.1893 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1628 2.2963 -0.5569 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