4-[3-(2,3-dichlorophenyl)phenyl]butan-2-one

C16H14Cl2O — CID 82540744

IUPAC4-[3-(2,3-dichlorophenyl)phenyl]butan-2-one
SMILESCC(=O)CCc1cccc(-c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C16H14Cl2O/c1-11(19)8-9-12-4-2-5-13(10-12)14-6-3-7-15(17)16(14)18/h2-7,10H,8-9H2,1H3
InChIKeyHOELIXYGQNYPII-UHFFFAOYSA-N
MW293.19 g/mol
LogP5.18
Rot. Bonds4

About 4-[3-(2,3-dichlorophenyl)phenyl]butan-2-one

4-[3-(2,3-dichlorophenyl)phenyl]butan-2-one (PubChem CID 82540744) has the molecular formula C16H14Cl2O and a molecular weight of 293.19 g/mol. Its IUPAC name is 4-[3-(2,3-dichlorophenyl)phenyl]butan-2-one.

Molecular Properties

Compound Name4-[3-(2,3-dichlorophenyl)phenyl]butan-2-one
PubChem CID82540744
Molecular FormulaC16H14Cl2O
Molecular Weight293.19 g/mol
Exact Mass292.04
IUPAC Name4-[3-(2,3-dichlorophenyl)phenyl]butan-2-one
SMILESCC(=O)CCc1cccc(-c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C16H14Cl2O/c1-11(19)8-9-12-4-2-5-13(10-12)14-6-3-7-15(17)16(14)18/h2-7,10H,8-9H2,1H3
InChIKeyHOELIXYGQNYPII-UHFFFAOYSA-N
XLogP5.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.19
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,3-dichlorophenyl)phenyl]butan-2-one?
The IUPAC name of 4-[3-(2,3-dichlorophenyl)phenyl]butan-2-one (CID 82540744) is 4-[3-(2,3-dichlorophenyl)phenyl]butan-2-one.
What is the SMILES notation for 4-[3-(2,3-dichlorophenyl)phenyl]butan-2-one?
The canonical SMILES for 4-[3-(2,3-dichlorophenyl)phenyl]butan-2-one is CC(=O)CCc1cccc(-c2cccc(Cl)c2Cl)c1.
What is the InChIKey of 4-[3-(2,3-dichlorophenyl)phenyl]butan-2-one?
The InChIKey is HOELIXYGQNYPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O/c1-11(19)8-9-12-4-2-5-13(10-12)14-6-3-7-15(17)16(14)18/h2-7,10H,8-9H2,1H3.
What are the key properties of 4-[3-(2,3-dichlorophenyl)phenyl]butan-2-one?
4-[3-(2,3-dichlorophenyl)phenyl]butan-2-one has a molecular weight of 293.19 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,3-dichlorophenyl)phenyl]butan-2-one is sourced from PubChem (CID 82540744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).