2-(2,4-dichlorophenyl)-2-methyl-3-phenylpropanoyl chloride

C16H13Cl3O — CID 117048262

IUPAC2-(2,4-dichlorophenyl)-2-methyl-3-phenylpropanoyl chloride
SMILESCC(Cc1ccccc1)(C(=O)Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl3O/c1-16(15(19)20,10-11-5-3-2-4-6-11)13-8-7-12(17)9-14(13)18/h2-9H,10H2,1H3
InChIKeySGXQZACVRBHNBS-UHFFFAOYSA-N
MW327.64 g/mol
LogP5.26
Rot. Bonds4

About 2-(2,4-dichlorophenyl)-2-methyl-3-phenylpropanoyl chloride

2-(2,4-dichlorophenyl)-2-methyl-3-phenylpropanoyl chloride (PubChem CID 117048262) has the molecular formula C16H13Cl3O and a molecular weight of 327.64 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-2-methyl-3-phenylpropanoyl chloride.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-2-methyl-3-phenylpropanoyl chloride
PubChem CID117048262
Molecular FormulaC16H13Cl3O
Molecular Weight327.64 g/mol
Exact Mass326.00
IUPAC Name2-(2,4-dichlorophenyl)-2-methyl-3-phenylpropanoyl chloride
SMILESCC(Cc1ccccc1)(C(=O)Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl3O/c1-16(15(19)20,10-11-5-3-2-4-6-11)13-8-7-12(17)9-14(13)18/h2-9H,10H2,1H3
InChIKeySGXQZACVRBHNBS-UHFFFAOYSA-N
XLogP5.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.64
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-phenyl-2-(2,3,4-trifluorophenyl)propanoyl chloride
CID 117048253
2-(2,4-dichlorophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid
CID 117048305
2-(2,5-dichlorophenyl)-2-methyl-3-pyridin-4-ylpropanoyl chloride
CID 117049122
2-(2,4-dichlorophenyl)-3-(furan-2-yl)-2-methylpropanoic acid
CID 117048521
2-(2,6-difluorophenyl)-2-methyl-3-phenylpropanoyl chloride
CID 117048265
2-methyl-2-naphthalen-2-yl-3-phenylpropanoyl chloride
CID 117048269
2,4-dichlorobenzoyl chloride;phenylmethanamine
CID 159329355
2-(2,4-dichlorophenyl)propan-2-ol
CID 67803482
(2R,3R)-3-(2,4-dichlorophenyl)-2,3-dihydroxybutanoic acid
CID 118141013
2-(butan-2-ylamino)-2-(2,4-dichlorophenyl)propanoic acid
CID 61024255
2-(2,5-dichlorophenyl)-2-methyl-3-phenylpropan-1-amine
CID 117048216
2-(4-amino-2-fluorophenyl)-2-methyl-3-pyridin-4-ylpropanoyl chloride
CID 117049145

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-2-methyl-3-phenylpropanoyl chloride?
The IUPAC name of 2-(2,4-dichlorophenyl)-2-methyl-3-phenylpropanoyl chloride (CID 117048262) is 2-(2,4-dichlorophenyl)-2-methyl-3-phenylpropanoyl chloride.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-2-methyl-3-phenylpropanoyl chloride?
The canonical SMILES for 2-(2,4-dichlorophenyl)-2-methyl-3-phenylpropanoyl chloride is CC(Cc1ccccc1)(C(=O)Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-2-methyl-3-phenylpropanoyl chloride?
The InChIKey is SGXQZACVRBHNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl3O/c1-16(15(19)20,10-11-5-3-2-4-6-11)13-8-7-12(17)9-14(13)18/h2-9H,10H2,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-2-methyl-3-phenylpropanoyl chloride?
2-(2,4-dichlorophenyl)-2-methyl-3-phenylpropanoyl chloride has a molecular weight of 327.64 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-2-methyl-3-phenylpropanoyl chloride is sourced from PubChem (CID 117048262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).