(2,4-dichlorophenyl)-(4-propan-2-ylphenyl)methanone

C16H14Cl2O — CID 43625036

IUPAC(2,4-dichlorophenyl)-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H14Cl2O/c1-10(2)11-3-5-12(6-4-11)16(19)14-8-7-13(17)9-15(14)18/h3-10H,1-2H3
InChIKeyIPGQPRGVBDVLNQ-UHFFFAOYSA-N
MW293.19 g/mol
LogP5.35
Rot. Bonds3

About (2,4-dichlorophenyl)-(4-propan-2-ylphenyl)methanone

(2,4-dichlorophenyl)-(4-propan-2-ylphenyl)methanone (PubChem CID 43625036) has the molecular formula C16H14Cl2O and a molecular weight of 293.19 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(4-propan-2-ylphenyl)methanone
PubChem CID43625036
Molecular FormulaC16H14Cl2O
Molecular Weight293.19 g/mol
Exact Mass292.04
IUPAC Name(2,4-dichlorophenyl)-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H14Cl2O/c1-10(2)11-3-5-12(6-4-11)16(19)14-8-7-13(17)9-15(14)18/h3-10H,1-2H3
InChIKeyIPGQPRGVBDVLNQ-UHFFFAOYSA-N
XLogP5.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.19
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chloro-4-methylphenyl)-(4-propan-2-ylphenyl)methanone
CID 106860797
(2,4-dichlorophenyl)-(4-hydroxyphenyl)methanone
CID 13453357
(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanone
CID 63492857
(2,4-dichlorophenyl)-(4-phosphorosophenyl)methanone
CID 141016056
(2,4-dichlorophenyl)-(3,4-difluorophenyl)methanone
CID 43338229
(2,5-difluorophenyl)-(4-propan-2-ylphenyl)methanone
CID 43159824
(2,4-dimethylphenyl)-(4-propan-2-ylphenyl)methanone
CID 43337891
N-[4-(2,4-dichlorobenzoyl)phenyl]-N-methylformamide
CID 43340829
(2,4-dichlorophenyl)-(3,4,5-trifluorophenyl)methanone
CID 63187591
(4-amino-2-chlorophenyl)-(4-chlorophenyl)methanone
CID 3016510
(2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43344575
(2,4-dichlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
CID 65299220

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(4-propan-2-ylphenyl)methanone?
The IUPAC name of (2,4-dichlorophenyl)-(4-propan-2-ylphenyl)methanone (CID 43625036) is (2,4-dichlorophenyl)-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for (2,4-dichlorophenyl)-(4-propan-2-ylphenyl)methanone is CC(C)c1ccc(C(=O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of (2,4-dichlorophenyl)-(4-propan-2-ylphenyl)methanone?
The InChIKey is IPGQPRGVBDVLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O/c1-10(2)11-3-5-12(6-4-11)16(19)14-8-7-13(17)9-15(14)18/h3-10H,1-2H3.
What are the key properties of (2,4-dichlorophenyl)-(4-propan-2-ylphenyl)methanone?
(2,4-dichlorophenyl)-(4-propan-2-ylphenyl)methanone has a molecular weight of 293.19 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 43625036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).