2-cyclopentyl-6-methylbenzoyl chloride

C13H15ClO — CID 144574773

IUPAC2-cyclopentyl-6-methylbenzoyl chloride
SMILESCc1cccc(C2CCCC2)c1C(=O)Cl
InChIInChI=1S/C13H15ClO/c1-9-5-4-8-11(12(9)13(14)15)10-6-2-3-7-10/h4-5,8,10H,2-3,6-7H2,1H3
InChIKeySUUBVMZLMZPTIG-UHFFFAOYSA-N
MW222.72 g/mol
LogP4.03
Rot. Bonds2

About 2-cyclopentyl-6-methylbenzoyl chloride

2-cyclopentyl-6-methylbenzoyl chloride (PubChem CID 144574773) has the molecular formula C13H15ClO and a molecular weight of 222.72 g/mol. Its IUPAC name is 2-cyclopentyl-6-methylbenzoyl chloride.

Molecular Properties

Compound Name2-cyclopentyl-6-methylbenzoyl chloride
PubChem CID144574773
Molecular FormulaC13H15ClO
Molecular Weight222.72 g/mol
Exact Mass222.08
IUPAC Name2-cyclopentyl-6-methylbenzoyl chloride
SMILESCc1cccc(C2CCCC2)c1C(=O)Cl
InChIInChI=1S/C13H15ClO/c1-9-5-4-8-11(12(9)13(14)15)10-6-2-3-7-10/h4-5,8,10H,2-3,6-7H2,1H3
InChIKeySUUBVMZLMZPTIG-UHFFFAOYSA-N
XLogP4.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 54.03
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-chloro-6-cyclopentylbenzoyl chloride
CID 90041864
methyl 2-cyclobutyl-6-methylbenzoate
CID 144575018
2-chloro-6-cyclopentylbenzoic acid
CID 90041585
2-methyl-6-piperidin-4-ylbenzamide
CID 174505124
(2,3-dimethylphenyl)cyclodecane
CID 21161883
(2-cyclohexylphenyl)-(2-methylphenyl)methanone
CID 86030332
cyclopentyl-(2,6-dimethylphenyl)methanone
CID 24724167
1-cyclopentyl-2-methylbenzene;isocyanic acid
CID 88641039
3-cyclopentylphthalic acid;phthalic acid
CID 70581040
2-cyclobutyl-7-methylcyclohepta-2,4,6-trien-1-one
CID 157060822
cyclobutyl-(2,6-dimethylphenyl)methanone
CID 24724132
2-cyclopentyl-6-methylbenzonitrile
CID 10559437

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-6-methylbenzoyl chloride?
The IUPAC name of 2-cyclopentyl-6-methylbenzoyl chloride (CID 144574773) is 2-cyclopentyl-6-methylbenzoyl chloride.
What is the SMILES notation for 2-cyclopentyl-6-methylbenzoyl chloride?
The canonical SMILES for 2-cyclopentyl-6-methylbenzoyl chloride is Cc1cccc(C2CCCC2)c1C(=O)Cl.
What is the InChIKey of 2-cyclopentyl-6-methylbenzoyl chloride?
The InChIKey is SUUBVMZLMZPTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO/c1-9-5-4-8-11(12(9)13(14)15)10-6-2-3-7-10/h4-5,8,10H,2-3,6-7H2,1H3.
What are the key properties of 2-cyclopentyl-6-methylbenzoyl chloride?
2-cyclopentyl-6-methylbenzoyl chloride has a molecular weight of 222.72 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-6-methylbenzoyl chloride is sourced from PubChem (CID 144574773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).