2-chloro-6-cyclopentylbenzoic acid

C12H13ClO2 — CID 90041585

IUPAC2-chloro-6-cyclopentylbenzoic acid
SMILESO=C(O)c1c(Cl)cccc1C1CCCC1
InChIInChI=1S/C12H13ClO2/c13-10-7-3-6-9(11(10)12(14)15)8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H,14,15)
InChIKeyHVYGBWYEGBNLFL-UHFFFAOYSA-N
MW224.69 g/mol
LogP3.70
Rot. Bonds2

About 2-chloro-6-cyclopentylbenzoic acid

2-chloro-6-cyclopentylbenzoic acid (PubChem CID 90041585) has the molecular formula C12H13ClO2 and a molecular weight of 224.69 g/mol. Its IUPAC name is 2-chloro-6-cyclopentylbenzoic acid.

Molecular Properties

Compound Name2-chloro-6-cyclopentylbenzoic acid
PubChem CID90041585
Molecular FormulaC12H13ClO2
Molecular Weight224.69 g/mol
Exact Mass224.06
IUPAC Name2-chloro-6-cyclopentylbenzoic acid
SMILESO=C(O)c1c(Cl)cccc1C1CCCC1
InChIInChI=1S/C12H13ClO2/c13-10-7-3-6-9(11(10)12(14)15)8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H,14,15)
InChIKeyHVYGBWYEGBNLFL-UHFFFAOYSA-N
XLogP3.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-6-cyclopentylbenzoyl chloride
CID 90041864
2-chloro-6-(oxetan-3-yl)benzoic acid
CID 129080591
3-cyclopentylphthalic acid;phthalic acid
CID 70581040
CID 11251659
CID 11251659
2-chloro-6-cyclopentylsulfanylbenzoic acid
CID 63115684
(2,3-dichlorophenyl)cycloheptane
CID 166869288
2-cyclopentyl-6-methylbenzoyl chloride
CID 144574773
(2-chloro-6-fluorophenyl)-(2-cyclobutylphenyl)methanone
CID 115813620
2-chloro-6-[cyclopentyl(methyl)amino]benzoic acid
CID 43267297
2-chloro-6-[cycloheptyl(methyl)amino]benzoic acid
CID 43614200
2-chloro-6-(cyclopentylmethylamino)benzoic acid
CID 62710285
3-cyclohexyl-2,6-dihydroxybenzoic acid
CID 125490801

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-cyclopentylbenzoic acid?
The IUPAC name of 2-chloro-6-cyclopentylbenzoic acid (CID 90041585) is 2-chloro-6-cyclopentylbenzoic acid.
What is the SMILES notation for 2-chloro-6-cyclopentylbenzoic acid?
The canonical SMILES for 2-chloro-6-cyclopentylbenzoic acid is O=C(O)c1c(Cl)cccc1C1CCCC1.
What is the InChIKey of 2-chloro-6-cyclopentylbenzoic acid?
The InChIKey is HVYGBWYEGBNLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO2/c13-10-7-3-6-9(11(10)12(14)15)8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H,14,15).
What are the key properties of 2-chloro-6-cyclopentylbenzoic acid?
2-chloro-6-cyclopentylbenzoic acid has a molecular weight of 224.69 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-cyclopentylbenzoic acid is sourced from PubChem (CID 90041585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).