2-chloro-1-(4-phenylphenyl)decan-3-one

C22H27ClO — CID 173369768

IUPAC2-chloro-1-(4-phenylphenyl)decan-3-one
SMILESCCCCCCCC(=O)C(Cl)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H27ClO/c1-2-3-4-5-9-12-22(24)21(23)17-18-13-15-20(16-14-18)19-10-7-6-8-11-19/h6-8,10-11,13-16,21H,2-5,9,12,17H2,1H3
InChIKeyACPWLRPLXJPBNM-UHFFFAOYSA-N
MW342.91 g/mol
LogP6.43
Rot. Bonds10

About 2-chloro-1-(4-phenylphenyl)decan-3-one

2-chloro-1-(4-phenylphenyl)decan-3-one (PubChem CID 173369768) has the molecular formula C22H27ClO and a molecular weight of 342.91 g/mol. Its IUPAC name is 2-chloro-1-(4-phenylphenyl)decan-3-one.

Molecular Properties

Compound Name2-chloro-1-(4-phenylphenyl)decan-3-one
PubChem CID173369768
Molecular FormulaC22H27ClO
Molecular Weight342.91 g/mol
Exact Mass342.18
IUPAC Name2-chloro-1-(4-phenylphenyl)decan-3-one
SMILESCCCCCCCC(=O)C(Cl)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H27ClO/c1-2-3-4-5-9-12-22(24)21(23)17-18-13-15-20(16-14-18)19-10-7-6-8-11-19/h6-8,10-11,13-16,21H,2-5,9,12,17H2,1H3
InChIKeyACPWLRPLXJPBNM-UHFFFAOYSA-N
XLogP6.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.91
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1,1'-biphenyl;heptadecan-9-one
CID 19613965
ethyl (2R)-2-benzyl-3-oxononanoate
CID 102294335
1-chloro-1-phenyldecan-2-one
CID 81235866
1-chloro-1-phenylnonan-2-one
CID 81236884
2-amino-1-phenyldecan-3-one;hydrochloride
CID 3073894
3-phenyltetradecan-4-one
CID 114968845
(3S)-3-methyl-1-phenylpentadecan-4-one
CID 158218990
(3S)-3-methyl-1-phenyltridecan-4-one
CID 157198847
1,1'-biphenyl;hexadecane
CID 173308514
5-[[2-(methylamino)-3-(4-phenylphenyl)propanoyl]amino]-N-pentylpentanamide
CID 171640025
(5R)-5,7-dimethyl-8-(4-phenylphenyl)octan-4-one
CID 145158250
3-[4-(4-heptylphenyl)phenyl]propanoic acid
CID 21182264

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(4-phenylphenyl)decan-3-one?
The IUPAC name of 2-chloro-1-(4-phenylphenyl)decan-3-one (CID 173369768) is 2-chloro-1-(4-phenylphenyl)decan-3-one.
What is the SMILES notation for 2-chloro-1-(4-phenylphenyl)decan-3-one?
The canonical SMILES for 2-chloro-1-(4-phenylphenyl)decan-3-one is CCCCCCCC(=O)C(Cl)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-chloro-1-(4-phenylphenyl)decan-3-one?
The InChIKey is ACPWLRPLXJPBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClO/c1-2-3-4-5-9-12-22(24)21(23)17-18-13-15-20(16-14-18)19-10-7-6-8-11-19/h6-8,10-11,13-16,21H,2-5,9,12,17H2,1H3.
What are the key properties of 2-chloro-1-(4-phenylphenyl)decan-3-one?
2-chloro-1-(4-phenylphenyl)decan-3-one has a molecular weight of 342.91 g/mol, XLogP of 6.43, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(4-phenylphenyl)decan-3-one is sourced from PubChem (CID 173369768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).