(2,5-dichloro-3-phenoxyphenyl)-(4-phenoxyphenyl)methanone

C25H16Cl2O3 — CID 69006998

IUPAC(2,5-dichloro-3-phenoxyphenyl)-(4-phenoxyphenyl)methanone
SMILESO=C(c1ccc(Oc2ccccc2)cc1)c1cc(Cl)cc(Oc2ccccc2)c1Cl
InChIInChI=1S/C25H16Cl2O3/c26-18-15-22(24(27)23(16-18)30-20-9-5-2-6-10-20)25(28)17-11-13-21(14-12-17)29-19-7-3-1-4-8-19/h1-16H
InChIKeyWMNAOLYAVFVOLY-UHFFFAOYSA-N
MW435.31 g/mol
LogP7.81
Rot. Bonds6

About (2,5-dichloro-3-phenoxyphenyl)-(4-phenoxyphenyl)methanone

(2,5-dichloro-3-phenoxyphenyl)-(4-phenoxyphenyl)methanone (PubChem CID 69006998) has the molecular formula C25H16Cl2O3 and a molecular weight of 435.31 g/mol. Its IUPAC name is (2,5-dichloro-3-phenoxyphenyl)-(4-phenoxyphenyl)methanone.

Molecular Properties

Compound Name(2,5-dichloro-3-phenoxyphenyl)-(4-phenoxyphenyl)methanone
PubChem CID69006998
Molecular FormulaC25H16Cl2O3
Molecular Weight435.31 g/mol
Exact Mass434.05
IUPAC Name(2,5-dichloro-3-phenoxyphenyl)-(4-phenoxyphenyl)methanone
SMILESO=C(c1ccc(Oc2ccccc2)cc1)c1cc(Cl)cc(Oc2ccccc2)c1Cl
InChIInChI=1S/C25H16Cl2O3/c26-18-15-22(24(27)23(16-18)30-20-9-5-2-6-10-20)25(28)17-11-13-21(14-12-17)29-19-7-3-1-4-8-19/h1-16H
InChIKeyWMNAOLYAVFVOLY-UHFFFAOYSA-N
XLogP7.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.31
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,5-dichlorophenyl)phenyl]-(4-phenoxyphenyl)methanone
CID 139963055
bis[4-(2-phenoxyphenoxy)phenyl]methanone
CID 19849453
[3,5-bis(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 11571089
ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 142280871
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
(2-phenoxyphenyl)-phenylmethanone
CID 10802273
[4-[4-(2,3-dichlorobenzoyl)phenoxy]phenyl]-(2,3-dichlorophenyl)methanone
CID 67201726
[4-[2-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 175364335
(4-phenoxyphenyl)-[4-(4-phenoxyphenyl)phenyl]methanone
CID 134445747
4-benzoyl-3-(4-carboxyphenoxy)benzoic acid
CID 70204414
[4-[4-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-chlorophenyl)methanone
CID 59847037
[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 (2,5-dichloro-3-phenoxyphenyl)-(4-phenoxyphenyl)methanone?
The IUPAC name of (2,5-dichloro-3-phenoxyphenyl)-(4-phenoxyphenyl)methanone (CID 69006998) is (2,5-dichloro-3-phenoxyphenyl)-(4-phenoxyphenyl)methanone.
What is the SMILES notation for (2,5-dichloro-3-phenoxyphenyl)-(4-phenoxyphenyl)methanone?
The canonical SMILES for (2,5-dichloro-3-phenoxyphenyl)-(4-phenoxyphenyl)methanone is O=C(c1ccc(Oc2ccccc2)cc1)c1cc(Cl)cc(Oc2ccccc2)c1Cl.
What is the InChIKey of (2,5-dichloro-3-phenoxyphenyl)-(4-phenoxyphenyl)methanone?
The InChIKey is WMNAOLYAVFVOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16Cl2O3/c26-18-15-22(24(27)23(16-18)30-20-9-5-2-6-10-20)25(28)17-11-13-21(14-12-17)29-19-7-3-1-4-8-19/h1-16H.
What are the key properties of (2,5-dichloro-3-phenoxyphenyl)-(4-phenoxyphenyl)methanone?
(2,5-dichloro-3-phenoxyphenyl)-(4-phenoxyphenyl)methanone has a molecular weight of 435.31 g/mol, XLogP of 7.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichloro-3-phenoxyphenyl)-(4-phenoxyphenyl)methanone is sourced from PubChem (CID 69006998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).