3-methoxy-2-methylbenzoic acid

C9H10O3 — CID 7021483

IUPAC3-methoxy-2-methylbenzoic acid
SMILESCOc1cccc(C(=O)O)c1C
InChIInChI=1S/C9H10O3/c1-6-7(9(10)11)4-3-5-8(6)12-2/h3-5H,1-2H3,(H,10,11)
InChIKeyJPCISVSOTKMFPG-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.70
Rot. Bonds2

About 3-methoxy-2-methylbenzoic acid

3-methoxy-2-methylbenzoic acid (PubChem CID 7021483) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 3-methoxy-2-methylbenzoic acid.

Molecular Properties

Compound Name3-methoxy-2-methylbenzoic acid
PubChem CID7021483
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name3-methoxy-2-methylbenzoic acid
SMILESCOc1cccc(C(=O)O)c1C
InChIInChI=1S/C9H10O3/c1-6-7(9(10)11)4-3-5-8(6)12-2/h3-5H,1-2H3,(H,10,11)
InChIKeyJPCISVSOTKMFPG-UHFFFAOYSA-N
XLogP1.70
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methylbenzoic acid?
The IUPAC name of 3-methoxy-2-methylbenzoic acid (CID 7021483) is 3-methoxy-2-methylbenzoic acid.
What is the SMILES notation for 3-methoxy-2-methylbenzoic acid?
The canonical SMILES for 3-methoxy-2-methylbenzoic acid is COc1cccc(C(=O)O)c1C.
What is the InChIKey of 3-methoxy-2-methylbenzoic acid?
The InChIKey is JPCISVSOTKMFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c1-6-7(9(10)11)4-3-5-8(6)12-2/h3-5H,1-2H3,(H,10,11).
What are the key properties of 3-methoxy-2-methylbenzoic acid?
3-methoxy-2-methylbenzoic acid has a molecular weight of 166.18 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methylbenzoic acid is sourced from PubChem (CID 7021483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).