2,2-dichloro-1-(2-methyl-3-phenylphenyl)ethanone

C15H12Cl2O — CID 146007388

IUPAC2,2-dichloro-1-(2-methyl-3-phenylphenyl)ethanone
SMILESCc1c(C(=O)C(Cl)Cl)cccc1-c1ccccc1
InChIInChI=1S/C15H12Cl2O/c1-10-12(11-6-3-2-4-7-11)8-5-9-13(10)14(18)15(16)17/h2-9,15H,1H3
InChIKeyZQEVOQXEGTZZTR-UHFFFAOYSA-N
MW279.17 g/mol
LogP4.65
Rot. Bonds3

About 2,2-dichloro-1-(2-methyl-3-phenylphenyl)ethanone

2,2-dichloro-1-(2-methyl-3-phenylphenyl)ethanone (PubChem CID 146007388) has the molecular formula C15H12Cl2O and a molecular weight of 279.17 g/mol. Its IUPAC name is 2,2-dichloro-1-(2-methyl-3-phenylphenyl)ethanone.

Molecular Properties

Compound Name2,2-dichloro-1-(2-methyl-3-phenylphenyl)ethanone
PubChem CID146007388
Molecular FormulaC15H12Cl2O
Molecular Weight279.17 g/mol
Exact Mass278.03
IUPAC Name2,2-dichloro-1-(2-methyl-3-phenylphenyl)ethanone
SMILESCc1c(C(=O)C(Cl)Cl)cccc1-c1ccccc1
InChIInChI=1S/C15H12Cl2O/c1-10-12(11-6-3-2-4-7-11)8-5-9-13(10)14(18)15(16)17/h2-9,15H,1H3
InChIKeyZQEVOQXEGTZZTR-UHFFFAOYSA-N
XLogP4.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis[2-methyl-3-(4-phenylphenyl)phenyl]methanone
CID 151132531
N-hydroxy-2-methyl-3-phenylbenzamide
CID 54333518
2,2-dichloro-1-(3-fluoro-2-methylphenyl)ethanone
CID 130758399
carbonic acid;1,2-dimethyl-3-phenylbenzene
CID 67785413
2-methyl-3-phenylbenzamide;2,2,2-trifluoroacetic acid
CID 67159928
2,2-dimethyl-1-(2-methyl-3-phenylphenyl)butan-1-one
CID 146007407
[2-(2-methyl-3-phenylphenyl)-2-oxoethyl] acetate
CID 146007393
3,5,5-trimethyl-1-(2-methyl-3-phenylphenyl)hexan-1-one
CID 146007423
3-(3-carboxy-2-methylphenyl)-2-methylbenzoic acid
CID 22140374
3-(3-hydroxyphenyl)-2-methylbenzoic acid
CID 53224960
2-[[3-(3-chlorophenyl)-2-methylbenzoyl]amino]propanoic acid
CID 139724481
[2-methyl-3-(4-methylphenyl)benzoyl] 2-methyl-3-(4-methylphenyl)benzenecarboperoxoate
CID 155660856

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-(2-methyl-3-phenylphenyl)ethanone?
The IUPAC name of 2,2-dichloro-1-(2-methyl-3-phenylphenyl)ethanone (CID 146007388) is 2,2-dichloro-1-(2-methyl-3-phenylphenyl)ethanone.
What is the SMILES notation for 2,2-dichloro-1-(2-methyl-3-phenylphenyl)ethanone?
The canonical SMILES for 2,2-dichloro-1-(2-methyl-3-phenylphenyl)ethanone is Cc1c(C(=O)C(Cl)Cl)cccc1-c1ccccc1.
What is the InChIKey of 2,2-dichloro-1-(2-methyl-3-phenylphenyl)ethanone?
The InChIKey is ZQEVOQXEGTZZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O/c1-10-12(11-6-3-2-4-7-11)8-5-9-13(10)14(18)15(16)17/h2-9,15H,1H3.
What are the key properties of 2,2-dichloro-1-(2-methyl-3-phenylphenyl)ethanone?
2,2-dichloro-1-(2-methyl-3-phenylphenyl)ethanone has a molecular weight of 279.17 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-(2-methyl-3-phenylphenyl)ethanone is sourced from PubChem (CID 146007388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).