2-chloro-4-cyclopropyl-6-methylbenzoic acid

C11H11ClO2 — CID 140590142

IUPAC2-chloro-4-cyclopropyl-6-methylbenzoic acid
SMILESCc1cc(C2CC2)cc(Cl)c1C(=O)O
InChIInChI=1S/C11H11ClO2/c1-6-4-8(7-2-3-7)5-9(12)10(6)11(13)14/h4-5,7H,2-3H2,1H3,(H,13,14)
InChIKeyGFOPZMDJUIRTHM-UHFFFAOYSA-N
MW210.66 g/mol
LogP3.22
Rot. Bonds2

About 2-chloro-4-cyclopropyl-6-methylbenzoic acid

2-chloro-4-cyclopropyl-6-methylbenzoic acid (PubChem CID 140590142) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is 2-chloro-4-cyclopropyl-6-methylbenzoic acid.

Molecular Properties

Compound Name2-chloro-4-cyclopropyl-6-methylbenzoic acid
PubChem CID140590142
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name2-chloro-4-cyclopropyl-6-methylbenzoic acid
SMILESCc1cc(C2CC2)cc(Cl)c1C(=O)O
InChIInChI=1S/C11H11ClO2/c1-6-4-8(7-2-3-7)5-9(12)10(6)11(13)14/h4-5,7H,2-3H2,1H3,(H,13,14)
InChIKeyGFOPZMDJUIRTHM-UHFFFAOYSA-N
XLogP3.22
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cyclopropyl-6-methylbenzoic acid?
The IUPAC name of 2-chloro-4-cyclopropyl-6-methylbenzoic acid (CID 140590142) is 2-chloro-4-cyclopropyl-6-methylbenzoic acid.
What is the SMILES notation for 2-chloro-4-cyclopropyl-6-methylbenzoic acid?
The canonical SMILES for 2-chloro-4-cyclopropyl-6-methylbenzoic acid is Cc1cc(C2CC2)cc(Cl)c1C(=O)O.
What is the InChIKey of 2-chloro-4-cyclopropyl-6-methylbenzoic acid?
The InChIKey is GFOPZMDJUIRTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO2/c1-6-4-8(7-2-3-7)5-9(12)10(6)11(13)14/h4-5,7H,2-3H2,1H3,(H,13,14).
What are the key properties of 2-chloro-4-cyclopropyl-6-methylbenzoic acid?
2-chloro-4-cyclopropyl-6-methylbenzoic acid has a molecular weight of 210.66 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-cyclopropyl-6-methylbenzoic acid is sourced from PubChem (CID 140590142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).