[2-(2,5-dichlorophenyl)phenyl]-(4-phenoxyphenyl)methanone

C25H16Cl2O2 — CID 139963055

IUPAC[2-(2,5-dichlorophenyl)phenyl]-(4-phenoxyphenyl)methanone
SMILESO=C(c1ccc(Oc2ccccc2)cc1)c1ccccc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C25H16Cl2O2/c26-18-12-15-24(27)23(16-18)21-8-4-5-9-22(21)25(28)17-10-13-20(14-11-17)29-19-6-2-1-3-7-19/h1-16H
InChIKeyUFWPPWMFXKZPPK-UHFFFAOYSA-N
MW419.31 g/mol
LogP7.68
Rot. Bonds5

About [2-(2,5-dichlorophenyl)phenyl]-(4-phenoxyphenyl)methanone

[2-(2,5-dichlorophenyl)phenyl]-(4-phenoxyphenyl)methanone (PubChem CID 139963055) has the molecular formula C25H16Cl2O2 and a molecular weight of 419.31 g/mol. Its IUPAC name is [2-(2,5-dichlorophenyl)phenyl]-(4-phenoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(2,5-dichlorophenyl)phenyl]-(4-phenoxyphenyl)methanone
PubChem CID139963055
Molecular FormulaC25H16Cl2O2
Molecular Weight419.31 g/mol
Exact Mass418.05
IUPAC Name[2-(2,5-dichlorophenyl)phenyl]-(4-phenoxyphenyl)methanone
SMILESO=C(c1ccc(Oc2ccccc2)cc1)c1ccccc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C25H16Cl2O2/c26-18-12-15-24(27)23(16-18)21-8-4-5-9-22(21)25(28)17-10-13-20(14-11-17)29-19-6-2-1-3-7-19/h1-16H
InChIKeyUFWPPWMFXKZPPK-UHFFFAOYSA-N
XLogP7.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.31
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dichlorophenyl)phenyl]-(4-phenoxyphenyl)methanone?
The IUPAC name of [2-(2,5-dichlorophenyl)phenyl]-(4-phenoxyphenyl)methanone (CID 139963055) is [2-(2,5-dichlorophenyl)phenyl]-(4-phenoxyphenyl)methanone.
What is the SMILES notation for [2-(2,5-dichlorophenyl)phenyl]-(4-phenoxyphenyl)methanone?
The canonical SMILES for [2-(2,5-dichlorophenyl)phenyl]-(4-phenoxyphenyl)methanone is O=C(c1ccc(Oc2ccccc2)cc1)c1ccccc1-c1cc(Cl)ccc1Cl.
What is the InChIKey of [2-(2,5-dichlorophenyl)phenyl]-(4-phenoxyphenyl)methanone?
The InChIKey is UFWPPWMFXKZPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16Cl2O2/c26-18-12-15-24(27)23(16-18)21-8-4-5-9-22(21)25(28)17-10-13-20(14-11-17)29-19-6-2-1-3-7-19/h1-16H.
What are the key properties of [2-(2,5-dichlorophenyl)phenyl]-(4-phenoxyphenyl)methanone?
[2-(2,5-dichlorophenyl)phenyl]-(4-phenoxyphenyl)methanone has a molecular weight of 419.31 g/mol, XLogP of 7.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dichlorophenyl)phenyl]-(4-phenoxyphenyl)methanone is sourced from PubChem (CID 139963055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).