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
Resources
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
4.9001 -1.2751 -0.3643 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1869 -0.4943 0.3999 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8156 -0.0493 0.0977 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1638 0.7827 0.9944 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8809 1.2124 0.7342 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1902 0.8505 -0.4004 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8549 0.0247 -1.2768 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1561 -0.4247 -1.0357 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0928 1.2567 -0.7001 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2146 0.5144 -0.2881 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4864 0.9312 -0.5938 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5685 0.1833 -0.1769 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4001 -0.9797 0.5440 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1157 -1.3792 0.8397 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0206 -0.6458 0.4321 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8911 -1.5533 -0.0732 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5045 -1.6443 -1.2856 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6444 -0.1479 1.3303 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7084 1.0654 1.8846 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3887 1.8577 1.4398 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3662 -0.2932 -2.1835 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6438 -1.0658 -1.7376 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6522 1.8360 -1.1560 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5985 0.4804 -0.3996 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2269 -1.5939 0.8889 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9213 -2.2989 1.4121 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9981 -0.9748 0.6741 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