(4-phenoxyphenyl)-[4-(4-phenoxyphenyl)phenyl]methanone

C31H22O3 — CID 134445747

IUPAC(4-phenoxyphenyl)-[4-(4-phenoxyphenyl)phenyl]methanone
SMILESO=C(c1ccc(Oc2ccccc2)cc1)c1ccc(-c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C31H22O3/c32-31(26-17-21-30(22-18-26)34-28-9-5-2-6-10-28)25-13-11-23(12-14-25)24-15-19-29(20-16-24)33-27-7-3-1-4-8-27/h1-22H
InChIKeyXIRGMAOKHLOWOU-UHFFFAOYSA-N
MW442.51 g/mol
LogP8.17
Rot. Bonds7

About (4-phenoxyphenyl)-[4-(4-phenoxyphenyl)phenyl]methanone

(4-phenoxyphenyl)-[4-(4-phenoxyphenyl)phenyl]methanone (PubChem CID 134445747) has the molecular formula C31H22O3 and a molecular weight of 442.51 g/mol. Its IUPAC name is (4-phenoxyphenyl)-[4-(4-phenoxyphenyl)phenyl]methanone.

Molecular Properties

Compound Name(4-phenoxyphenyl)-[4-(4-phenoxyphenyl)phenyl]methanone
PubChem CID134445747
Molecular FormulaC31H22O3
Molecular Weight442.51 g/mol
Exact Mass442.16
IUPAC Name(4-phenoxyphenyl)-[4-(4-phenoxyphenyl)phenyl]methanone
SMILESO=C(c1ccc(Oc2ccccc2)cc1)c1ccc(-c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C31H22O3/c32-31(26-17-21-30(22-18-26)34-28-9-5-2-6-10-28)25-13-11-23(12-14-25)24-15-19-29(20-16-24)33-27-7-3-1-4-8-27/h1-22H
InChIKeyXIRGMAOKHLOWOU-UHFFFAOYSA-N
XLogP8.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.51
LogP ≤ 58.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 142280871
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
[4-(4-methylphenoxy)phenyl]-(4-phenoxyphenyl)methanone
CID 139804572
[3,5-bis(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 11571089
(4-methoxyphenyl)-[4-(4-phenylphenoxy)phenyl]methanone
CID 146206951
(4-bromophenyl)-(4-phenoxyphenyl)methanone
CID 139928353
bis[4-(2-phenoxyphenoxy)phenyl]methanone
CID 19849453
4-(4-phenylphenoxy)benzoyl chloride
CID 23319474
phenyl-(4-phenylphenyl)methanone
CID 155775877
[4-[2-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 175364335
4-phenoxybenzoic acid;hydrochloride
CID 70385625
[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)methanone
CID 22389585

Frequently Asked Questions

What is the IUPAC name of (4-phenoxyphenyl)-[4-(4-phenoxyphenyl)phenyl]methanone?
The IUPAC name of (4-phenoxyphenyl)-[4-(4-phenoxyphenyl)phenyl]methanone (CID 134445747) is (4-phenoxyphenyl)-[4-(4-phenoxyphenyl)phenyl]methanone.
What is the SMILES notation for (4-phenoxyphenyl)-[4-(4-phenoxyphenyl)phenyl]methanone?
The canonical SMILES for (4-phenoxyphenyl)-[4-(4-phenoxyphenyl)phenyl]methanone is O=C(c1ccc(Oc2ccccc2)cc1)c1ccc(-c2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of (4-phenoxyphenyl)-[4-(4-phenoxyphenyl)phenyl]methanone?
The InChIKey is XIRGMAOKHLOWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22O3/c32-31(26-17-21-30(22-18-26)34-28-9-5-2-6-10-28)25-13-11-23(12-14-25)24-15-19-29(20-16-24)33-27-7-3-1-4-8-27/h1-22H.
What are the key properties of (4-phenoxyphenyl)-[4-(4-phenoxyphenyl)phenyl]methanone?
(4-phenoxyphenyl)-[4-(4-phenoxyphenyl)phenyl]methanone has a molecular weight of 442.51 g/mol, XLogP of 8.17, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenoxyphenyl)-[4-(4-phenoxyphenyl)phenyl]methanone is sourced from PubChem (CID 134445747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).