2-chloro-6-cyclopentylbenzoyl chloride

C12H12Cl2O — CID 90041864

IUPAC2-chloro-6-cyclopentylbenzoyl chloride
SMILESO=C(Cl)c1c(Cl)cccc1C1CCCC1
InChIInChI=1S/C12H12Cl2O/c13-10-7-3-6-9(11(10)12(14)15)8-4-1-2-5-8/h3,6-8H,1-2,4-5H2
InChIKeyJSBOSYWBLWJYAN-UHFFFAOYSA-N
MW243.13 g/mol
LogP4.38
Rot. Bonds2

About 2-chloro-6-cyclopentylbenzoyl chloride

2-chloro-6-cyclopentylbenzoyl chloride (PubChem CID 90041864) has the molecular formula C12H12Cl2O and a molecular weight of 243.13 g/mol. Its IUPAC name is 2-chloro-6-cyclopentylbenzoyl chloride.

Molecular Properties

Compound Name2-chloro-6-cyclopentylbenzoyl chloride
PubChem CID90041864
Molecular FormulaC12H12Cl2O
Molecular Weight243.13 g/mol
Exact Mass242.03
IUPAC Name2-chloro-6-cyclopentylbenzoyl chloride
SMILESO=C(Cl)c1c(Cl)cccc1C1CCCC1
InChIInChI=1S/C12H12Cl2O/c13-10-7-3-6-9(11(10)12(14)15)8-4-1-2-5-8/h3,6-8H,1-2,4-5H2
InChIKeyJSBOSYWBLWJYAN-UHFFFAOYSA-N
XLogP4.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.13
LogP ≤ 54.38
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-cyclopentylbenzoic acid
CID 90041585
2-cyclopentyl-6-methylbenzoyl chloride
CID 144574773
(2,3-dichlorophenyl)cycloheptane
CID 166869288
(2-chloro-6-fluorophenyl)-(2-cyclobutylphenyl)methanone
CID 115813620
6-[1-(2-chloro-6-cycloheptylphenyl)ethenyl]-4-hydroxyoxan-2-one
CID 70358868
1-chloro-2-cyclohexylbenzene;pentan-3-one
CID 174383275
3-cyclopentylphthalic acid;phthalic acid
CID 70581040
2-chloro-6-(oxetan-3-yl)benzoic acid
CID 129080591
2,6-dichloro-N,N-dicyclohexylbenzamide
CID 3555098
2,6-dicyclopropylbenzoate
CID 140784122
2-cyclopropylbenzoyl chloride
CID 118024624
1-chloro-2-(3-chlorocyclohexyl)benzene
CID 64513324

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-cyclopentylbenzoyl chloride?
The IUPAC name of 2-chloro-6-cyclopentylbenzoyl chloride (CID 90041864) is 2-chloro-6-cyclopentylbenzoyl chloride.
What is the SMILES notation for 2-chloro-6-cyclopentylbenzoyl chloride?
The canonical SMILES for 2-chloro-6-cyclopentylbenzoyl chloride is O=C(Cl)c1c(Cl)cccc1C1CCCC1.
What is the InChIKey of 2-chloro-6-cyclopentylbenzoyl chloride?
The InChIKey is JSBOSYWBLWJYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2O/c13-10-7-3-6-9(11(10)12(14)15)8-4-1-2-5-8/h3,6-8H,1-2,4-5H2.
What are the key properties of 2-chloro-6-cyclopentylbenzoyl chloride?
2-chloro-6-cyclopentylbenzoyl chloride has a molecular weight of 243.13 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-cyclopentylbenzoyl chloride is sourced from PubChem (CID 90041864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).