1-[3-(2,3-dichlorophenyl)phenyl]propan-1-one

C15H12Cl2O — CID 55198842

IUPAC1-[3-(2,3-dichlorophenyl)phenyl]propan-1-one
SMILESCCC(=O)c1cccc(-c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C15H12Cl2O/c1-2-14(18)11-6-3-5-10(9-11)12-7-4-8-13(16)15(12)17/h3-9H,2H2,1H3
InChIKeyNKBXRYNQEAXDHJ-UHFFFAOYSA-N
MW279.17 g/mol
LogP5.25
Rot. Bonds3

About 1-[3-(2,3-dichlorophenyl)phenyl]propan-1-one

1-[3-(2,3-dichlorophenyl)phenyl]propan-1-one (PubChem CID 55198842) has the molecular formula C15H12Cl2O and a molecular weight of 279.17 g/mol. Its IUPAC name is 1-[3-(2,3-dichlorophenyl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[3-(2,3-dichlorophenyl)phenyl]propan-1-one
PubChem CID55198842
Molecular FormulaC15H12Cl2O
Molecular Weight279.17 g/mol
Exact Mass278.03
IUPAC Name1-[3-(2,3-dichlorophenyl)phenyl]propan-1-one
SMILESCCC(=O)c1cccc(-c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C15H12Cl2O/c1-2-14(18)11-6-3-5-10(9-11)12-7-4-8-13(16)15(12)17/h3-9H,2H2,1H3
InChIKeyNKBXRYNQEAXDHJ-UHFFFAOYSA-N
XLogP5.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.17
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dichlorophenyl)phenyl]propan-1-one?
The IUPAC name of 1-[3-(2,3-dichlorophenyl)phenyl]propan-1-one (CID 55198842) is 1-[3-(2,3-dichlorophenyl)phenyl]propan-1-one.
What is the SMILES notation for 1-[3-(2,3-dichlorophenyl)phenyl]propan-1-one?
The canonical SMILES for 1-[3-(2,3-dichlorophenyl)phenyl]propan-1-one is CCC(=O)c1cccc(-c2cccc(Cl)c2Cl)c1.
What is the InChIKey of 1-[3-(2,3-dichlorophenyl)phenyl]propan-1-one?
The InChIKey is NKBXRYNQEAXDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O/c1-2-14(18)11-6-3-5-10(9-11)12-7-4-8-13(16)15(12)17/h3-9H,2H2,1H3.
What are the key properties of 1-[3-(2,3-dichlorophenyl)phenyl]propan-1-one?
1-[3-(2,3-dichlorophenyl)phenyl]propan-1-one has a molecular weight of 279.17 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3-dichlorophenyl)phenyl]propan-1-one is sourced from PubChem (CID 55198842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).