2-chloro-3-(5-chloro-2-methylphenyl)propanoyl chloride

C10H9Cl3O — CID 82054638

IUPAC2-chloro-3-(5-chloro-2-methylphenyl)propanoyl chloride
SMILESCc1ccc(Cl)cc1CC(Cl)C(=O)Cl
InChIInChI=1S/C10H9Cl3O/c1-6-2-3-8(11)4-7(6)5-9(12)10(13)14/h2-4,9H,5H2,1H3
InChIKeyRXRPXJMSBUQWKK-UHFFFAOYSA-N
MW251.54 g/mol
LogP3.56
Rot. Bonds3

About 2-chloro-3-(5-chloro-2-methylphenyl)propanoyl chloride

2-chloro-3-(5-chloro-2-methylphenyl)propanoyl chloride (PubChem CID 82054638) has the molecular formula C10H9Cl3O and a molecular weight of 251.54 g/mol. Its IUPAC name is 2-chloro-3-(5-chloro-2-methylphenyl)propanoyl chloride.

Molecular Properties

Compound Name2-chloro-3-(5-chloro-2-methylphenyl)propanoyl chloride
PubChem CID82054638
Molecular FormulaC10H9Cl3O
Molecular Weight251.54 g/mol
Exact Mass249.97
IUPAC Name2-chloro-3-(5-chloro-2-methylphenyl)propanoyl chloride
SMILESCc1ccc(Cl)cc1CC(Cl)C(=O)Cl
InChIInChI=1S/C10H9Cl3O/c1-6-2-3-8(11)4-7(6)5-9(12)10(13)14/h2-4,9H,5H2,1H3
InChIKeyRXRPXJMSBUQWKK-UHFFFAOYSA-N
XLogP3.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.54
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-3-(2,4-dichlorophenyl)propanoyl chloride
CID 21488826
(2R)-3-(5-chloro-2-methylphenyl)-2-(dimethylamino)propanoic acid
CID 94687971
(2S)-3-(5-chloro-2-methylphenyl)-2-pyrrolidin-1-ylpropanoic acid
CID 94695695
(2S)-3-(5-chloro-2-methylphenyl)-2-phenylsulfanylpropanoic acid
CID 100537924
(2R)-3-(5-chloro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)propanoic acid
CID 94711132
(2S)-3-(5-chloro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)propanoic acid
CID 94711131
3-(5-chloro-2-methylphenyl)-2-methylpropanenitrile
CID 83637230
4-chloro-2-(2,2-dimethylpropyl)-1-methylbenzene
CID 20782922
1-(5-chloro-2-methylphenyl)-2-(2,5-dichlorophenyl)ethanone
CID 114973852
(2R)-3-(5-chloro-2-methylphenyl)-2-(3-methylphenoxy)propanoic acid
CID 100537567
(2S)-3-(5-chloro-2-methylphenyl)-2-(2,3,5-trimethylphenoxy)propanoic acid
CID 100537835
acetyl chloride;4-chloro-1,2-dimethylbenzene
CID 174808009

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(5-chloro-2-methylphenyl)propanoyl chloride?
The IUPAC name of 2-chloro-3-(5-chloro-2-methylphenyl)propanoyl chloride (CID 82054638) is 2-chloro-3-(5-chloro-2-methylphenyl)propanoyl chloride.
What is the SMILES notation for 2-chloro-3-(5-chloro-2-methylphenyl)propanoyl chloride?
The canonical SMILES for 2-chloro-3-(5-chloro-2-methylphenyl)propanoyl chloride is Cc1ccc(Cl)cc1CC(Cl)C(=O)Cl.
What is the InChIKey of 2-chloro-3-(5-chloro-2-methylphenyl)propanoyl chloride?
The InChIKey is RXRPXJMSBUQWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl3O/c1-6-2-3-8(11)4-7(6)5-9(12)10(13)14/h2-4,9H,5H2,1H3.
What are the key properties of 2-chloro-3-(5-chloro-2-methylphenyl)propanoyl chloride?
2-chloro-3-(5-chloro-2-methylphenyl)propanoyl chloride has a molecular weight of 251.54 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(5-chloro-2-methylphenyl)propanoyl chloride is sourced from PubChem (CID 82054638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).