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
5.2219 0.3011 0.1272 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0996 0.9190 0.3454 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8246 0.2701 0.0786 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6931 -1.0048 -0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4253 -1.5492 -0.6358 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2748 -0.8359 -0.3819 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4073 0.4449 0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6415 0.9833 0.3320 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9839 -1.3716 -0.6053 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1565 -0.7116 -0.3720 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7624 0.0606 -1.3550 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9487 0.7292 -1.1212 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5646 0.6412 0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9841 -0.1206 1.1121 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8022 -0.7754 0.8499 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3044 -0.6982 -0.2522 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1489 0.8237 0.3405 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1055 1.9251 0.7287 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5821 -1.5993 -0.6217 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3411 -2.5563 -1.0207 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5021 1.0268 0.3156 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7235 2.0003 0.7206 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3266 0.1647 -2.3362 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4318 1.3387 -1.8892 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4867 1.1524 0.3175 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4692 -0.1946 2.0969 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3747 -1.3636 1.6546 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