bis[4-(2-phenoxyphenoxy)phenyl]methanone

C37H26O5 — CID 19849453

IUPACbis[4-(2-phenoxyphenoxy)phenyl]methanone
SMILESO=C(c1ccc(Oc2ccccc2Oc2ccccc2)cc1)c1ccc(Oc2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C37H26O5/c38-37(27-19-23-31(24-20-27)41-35-17-9-7-15-33(35)39-29-11-3-1-4-12-29)28-21-25-32(26-22-28)42-36-18-10-8-16-34(36)40-30-13-5-2-6-14-30/h1-26H
InChIKeyXWBSWUOOVXTZKG-UHFFFAOYSA-N
MW550.61 g/mol
LogP10.09
Rot. Bonds10

About bis[4-(2-phenoxyphenoxy)phenyl]methanone

bis[4-(2-phenoxyphenoxy)phenyl]methanone (PubChem CID 19849453) has the molecular formula C37H26O5 and a molecular weight of 550.61 g/mol. Its IUPAC name is bis[4-(2-phenoxyphenoxy)phenyl]methanone.

Molecular Properties

Compound Namebis[4-(2-phenoxyphenoxy)phenyl]methanone
PubChem CID19849453
Molecular FormulaC37H26O5
Molecular Weight550.61 g/mol
Exact Mass550.18
IUPAC Namebis[4-(2-phenoxyphenoxy)phenyl]methanone
SMILESO=C(c1ccc(Oc2ccccc2Oc2ccccc2)cc1)c1ccc(Oc2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C37H26O5/c38-37(27-19-23-31(24-20-27)41-35-17-9-7-15-33(35)39-29-11-3-1-4-12-29)28-21-25-32(26-22-28)42-36-18-10-8-16-34(36)40-30-13-5-2-6-14-30/h1-26H
InChIKeyXWBSWUOOVXTZKG-UHFFFAOYSA-N
XLogP10.09
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.61
LogP ≤ 510.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze bis[4-(2-phenoxyphenoxy)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[2-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 175364335
ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 142280871
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
(4-phenoxyphenyl)-[4-(4-phenoxyphenyl)phenyl]methanone
CID 134445747
[3,5-bis(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 11571089
(4-bromophenyl)-(4-phenoxyphenyl)methanone
CID 139928353
(2-phenoxyphenyl)-phenylmethanone
CID 10802273
[4-(4-methylphenoxy)phenyl]-(4-phenoxyphenyl)methanone
CID 139804572
3,4-diphenoxybenzoic acid
CID 70590459
phenyl-[4-(2-prop-2-enylphenoxy)phenyl]methanone
CID 68914261
bis(4-fluoro-3-phenoxyphenyl)methanone
CID 67872405
[4-[2-[[2-[4-(4-chlorobenzoyl)phenoxy]phenyl]methyl]phenoxy]phenyl]-(4-chlorophenyl)methanone
CID 58607338

Frequently Asked Questions

What is the IUPAC name of bis[4-(2-phenoxyphenoxy)phenyl]methanone?
The IUPAC name of bis[4-(2-phenoxyphenoxy)phenyl]methanone (CID 19849453) is bis[4-(2-phenoxyphenoxy)phenyl]methanone.
What is the SMILES notation for bis[4-(2-phenoxyphenoxy)phenyl]methanone?
The canonical SMILES for bis[4-(2-phenoxyphenoxy)phenyl]methanone is O=C(c1ccc(Oc2ccccc2Oc2ccccc2)cc1)c1ccc(Oc2ccccc2Oc2ccccc2)cc1.
What is the InChIKey of bis[4-(2-phenoxyphenoxy)phenyl]methanone?
The InChIKey is XWBSWUOOVXTZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26O5/c38-37(27-19-23-31(24-20-27)41-35-17-9-7-15-33(35)39-29-11-3-1-4-12-29)28-21-25-32(26-22-28)42-36-18-10-8-16-34(36)40-30-13-5-2-6-14-30/h1-26H.
What are the key properties of bis[4-(2-phenoxyphenoxy)phenyl]methanone?
bis[4-(2-phenoxyphenoxy)phenyl]methanone has a molecular weight of 550.61 g/mol, XLogP of 10.09, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(2-phenoxyphenoxy)phenyl]methanone is sourced from PubChem (CID 19849453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).