3-cyclopropyl-2-methoxybenzoic acid

C11H12O3 — CID 69106312

IUPAC3-cyclopropyl-2-methoxybenzoic acid
SMILESCOc1c(C(=O)O)cccc1C1CC1
InChIInChI=1S/C11H12O3/c1-14-10-8(7-5-6-7)3-2-4-9(10)11(12)13/h2-4,7H,5-6H2,1H3,(H,12,13)
InChIKeyYFGMLLQSLYCAOT-UHFFFAOYSA-N
MW192.21 g/mol
LogP2.27
Rot. Bonds3

About 3-cyclopropyl-2-methoxybenzoic acid

3-cyclopropyl-2-methoxybenzoic acid (PubChem CID 69106312) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 3-cyclopropyl-2-methoxybenzoic acid.

Molecular Properties

Compound Name3-cyclopropyl-2-methoxybenzoic acid
PubChem CID69106312
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name3-cyclopropyl-2-methoxybenzoic acid
SMILESCOc1c(C(=O)O)cccc1C1CC1
InChIInChI=1S/C11H12O3/c1-14-10-8(7-5-6-7)3-2-4-9(10)11(12)13/h2-4,7H,5-6H2,1H3,(H,12,13)
InChIKeyYFGMLLQSLYCAOT-UHFFFAOYSA-N
XLogP2.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-2,3-dimethoxybenzene
CID 22923325
carbonic acid;2-methoxy-3-methylbenzoic acid
CID 69114521
CID 175079027
CID 175079027
2-methoxy-3-morpholin-3-ylbenzoic acid
CID 175436476
CID 87085306
CID 87085306
3-amino-2-methoxybenzoic acid
CID 19849158
3-amino-2-methoxybenzoic acid;hydrochloride
CID 163206997
2,3-dimethoxybenzoic acid;platinum;hydrate
CID 174478854
8-cyclopropyl-4-methoxy-2-oxochromene-3-carboxylic acid
CID 151350235
2-methoxy-3-(1-methylpyrrolidin-3-yl)oxybenzoic acid
CID 115005109
2-[(3S)-1-(3-fluoro-2-methoxybenzoyl)pyrrolidin-3-yl]benzoic acid
CID 95722755
3-(4-aminocyclohexanecarbonyl)oxy-2-methoxybenzoic acid
CID 67701088

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-methoxybenzoic acid?
The IUPAC name of 3-cyclopropyl-2-methoxybenzoic acid (CID 69106312) is 3-cyclopropyl-2-methoxybenzoic acid.
What is the SMILES notation for 3-cyclopropyl-2-methoxybenzoic acid?
The canonical SMILES for 3-cyclopropyl-2-methoxybenzoic acid is COc1c(C(=O)O)cccc1C1CC1.
What is the InChIKey of 3-cyclopropyl-2-methoxybenzoic acid?
The InChIKey is YFGMLLQSLYCAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-14-10-8(7-5-6-7)3-2-4-9(10)11(12)13/h2-4,7H,5-6H2,1H3,(H,12,13).
What are the key properties of 3-cyclopropyl-2-methoxybenzoic acid?
3-cyclopropyl-2-methoxybenzoic acid has a molecular weight of 192.21 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-methoxybenzoic acid is sourced from PubChem (CID 69106312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).