2-chloro-2-(2,5-dimethylphenyl)acetyl chloride

C10H10Cl2O — CID 150440716

IUPAC2-chloro-2-(2,5-dimethylphenyl)acetyl chloride
SMILESCc1ccc(C)c(C(Cl)C(=O)Cl)c1
InChIInChI=1S/C10H10Cl2O/c1-6-3-4-7(2)8(5-6)9(11)10(12)13/h3-5,9H,1-2H3
InChIKeyHLSCHPYUZHWUTN-UHFFFAOYSA-N
MW217.09 g/mol
LogP3.35
Rot. Bonds2

About 2-chloro-2-(2,5-dimethylphenyl)acetyl chloride

2-chloro-2-(2,5-dimethylphenyl)acetyl chloride (PubChem CID 150440716) has the molecular formula C10H10Cl2O and a molecular weight of 217.09 g/mol. Its IUPAC name is 2-chloro-2-(2,5-dimethylphenyl)acetyl chloride.

Molecular Properties

Compound Name2-chloro-2-(2,5-dimethylphenyl)acetyl chloride
PubChem CID150440716
Molecular FormulaC10H10Cl2O
Molecular Weight217.09 g/mol
Exact Mass216.01
IUPAC Name2-chloro-2-(2,5-dimethylphenyl)acetyl chloride
SMILESCc1ccc(C)c(C(Cl)C(=O)Cl)c1
InChIInChI=1S/C10H10Cl2O/c1-6-3-4-7(2)8(5-6)9(11)10(12)13/h3-5,9H,1-2H3
InChIKeyHLSCHPYUZHWUTN-UHFFFAOYSA-N
XLogP3.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.09
LogP ≤ 53.35
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-N-cyclopropyl-2-(2,5-dimethylphenyl)acetamide
CID 62224597
1-(azepan-1-yl)-2-chloro-2-(2,5-dimethylphenyl)ethanone
CID 62224830
3-(2,5-dimethylphenyl)-4-methylpentan-2-one
CID 135184841
1-chloro-1-(2-hydroxy-5-methylphenyl)propan-2-one
CID 130777645
2-(2,5-dimethylphenyl)-3-oxopropanoic acid
CID 22600118
1-(2,5-dimethylphenyl)-1-methoxypropan-2-one
CID 59492308
2-(5-bromo-2-methylphenyl)-2-chloroacetic acid
CID 83554540
2-[chloro-(2,5-dimethylphenyl)methyl]-1,3,5-trimethylbenzene
CID 55200035
3-(4-chlorophenyl)-2-(2,5-dimethylphenyl)propanoic acid
CID 82139348
2-(2,5-dimethylphenyl)-3-phenylpropanoic acid
CID 82139245
2-(1-chloro-2,2-difluoropropyl)-1,4-dimethylbenzene
CID 130605234
1-chloro-1-[2-(hydroxymethyl)-5-methylphenyl]propan-2-one
CID 130955433

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(2,5-dimethylphenyl)acetyl chloride?
The IUPAC name of 2-chloro-2-(2,5-dimethylphenyl)acetyl chloride (CID 150440716) is 2-chloro-2-(2,5-dimethylphenyl)acetyl chloride.
What is the SMILES notation for 2-chloro-2-(2,5-dimethylphenyl)acetyl chloride?
The canonical SMILES for 2-chloro-2-(2,5-dimethylphenyl)acetyl chloride is Cc1ccc(C)c(C(Cl)C(=O)Cl)c1.
What is the InChIKey of 2-chloro-2-(2,5-dimethylphenyl)acetyl chloride?
The InChIKey is HLSCHPYUZHWUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O/c1-6-3-4-7(2)8(5-6)9(11)10(12)13/h3-5,9H,1-2H3.
What are the key properties of 2-chloro-2-(2,5-dimethylphenyl)acetyl chloride?
2-chloro-2-(2,5-dimethylphenyl)acetyl chloride has a molecular weight of 217.09 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(2,5-dimethylphenyl)acetyl chloride is sourced from PubChem (CID 150440716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).