1,3-diphenoxy-2-phenylbenzene

C24H18O2 — CID 88611434

IUPAC1,3-diphenoxy-2-phenylbenzene
SMILESc1ccc(Oc2cccc(Oc3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C24H18O2/c1-4-11-19(12-5-1)24-22(25-20-13-6-2-7-14-20)17-10-18-23(24)26-21-15-8-3-9-16-21/h1-18H
InChIKeyWZZSMXWYVCFISC-UHFFFAOYSA-N
MW338.41 g/mol
LogP6.94
Rot. Bonds5

About 1,3-diphenoxy-2-phenylbenzene

1,3-diphenoxy-2-phenylbenzene (PubChem CID 88611434) has the molecular formula C24H18O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1,3-diphenoxy-2-phenylbenzene.

Molecular Properties

Compound Name1,3-diphenoxy-2-phenylbenzene
PubChem CID88611434
Molecular FormulaC24H18O2
Molecular Weight338.41 g/mol
Exact Mass338.13
IUPAC Name1,3-diphenoxy-2-phenylbenzene
SMILESc1ccc(Oc2cccc(Oc3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C24H18O2/c1-4-11-19(12-5-1)24-22(25-20-13-6-2-7-14-20)17-10-18-23(24)26-21-15-8-3-9-16-21/h1-18H
InChIKeyWZZSMXWYVCFISC-UHFFFAOYSA-N
XLogP6.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-bis(4-phenylphenoxy)benzene
CID 23083743
1-(2-phenoxyphenyl)-2-(2-phenylphenoxy)benzene
CID 54513484
1,3-dimethoxy-2-phenylbenzene;hydrochloride
CID 175871248
1,4-bis(2-phenoxyphenyl)benzene
CID 57271203
azane;1-chloro-2-phenoxybenzene
CID 68980819
2-phenoxy-1-[2-phenoxy-3-(2-phenylphenyl)phenoxy]-3-(2-phenylphenyl)benzene
CID 172810146
2-(2-phenoxyphenyl)-6-phenylbenzenethiol
CID 19734018
1-chloro-2-methyl-3-phenoxybenzene
CID 54026510
2-chloro-1-fluoro-3-phenoxybenzene
CID 155282374
1-fluoro-3-(2-phenoxyphenyl)benzene
CID 56979029
2-(2-phenoxyphenoxy)-1-[2-(2-phenoxyphenoxy)-4-[3-(3-phenoxyphenoxy)phenyl]phenoxy]-4-[3-(3-phenoxyphenoxy)phenyl]benzene
CID 57186867
(2-chloro-6-phenoxyphenyl)methanamine
CID 2777206

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenoxy-2-phenylbenzene?
The IUPAC name of 1,3-diphenoxy-2-phenylbenzene (CID 88611434) is 1,3-diphenoxy-2-phenylbenzene.
What is the SMILES notation for 1,3-diphenoxy-2-phenylbenzene?
The canonical SMILES for 1,3-diphenoxy-2-phenylbenzene is c1ccc(Oc2cccc(Oc3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 1,3-diphenoxy-2-phenylbenzene?
The InChIKey is WZZSMXWYVCFISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O2/c1-4-11-19(12-5-1)24-22(25-20-13-6-2-7-14-20)17-10-18-23(24)26-21-15-8-3-9-16-21/h1-18H.
What are the key properties of 1,3-diphenoxy-2-phenylbenzene?
1,3-diphenoxy-2-phenylbenzene has a molecular weight of 338.41 g/mol, XLogP of 6.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenoxy-2-phenylbenzene is sourced from PubChem (CID 88611434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).