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
4.8687 -1.2876 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1157 -0.4914 0.6646 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8127 -0.0009 0.2376 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2347 -0.3173 -0.9655 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9794 0.1719 -1.3455 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2676 1.0037 -0.5084 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8260 1.3355 0.7036 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0634 0.8434 1.0593 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9709 1.4672 -0.9195 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1077 0.7309 -0.6134 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0400 -0.4536 0.0911 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1877 -1.1828 0.3919 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4383 -0.7534 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5024 0.4310 -0.7045 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3598 1.1588 -1.0051 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5319 -1.6091 -1.0232 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8206 -1.6168 0.3052 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4489 -0.1484 1.6629 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7452 -0.9567 -1.6473 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5423 -0.0861 -2.2908 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2821 1.9937 1.3862 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4779 1.1207 2.0176 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0778 -0.8175 0.4127 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1383 -2.1219 0.9499 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3343 -1.3264 0.2365 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4621 0.8196 -1.0404 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3977 2.0938 -1.5594 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