4,5-dimethoxy-2-methylbenzoic acid

C10H12O4 — CID 2752038

IUPAC4,5-dimethoxy-2-methylbenzoic acid
SMILESCOc1cc(C)c(C(=O)O)cc1OC
InChIInChI=1S/C10H12O4/c1-6-4-8(13-2)9(14-3)5-7(6)10(11)12/h4-5H,1-3H3,(H,11,12)
InChIKeyPRPBPUNVOHTNDA-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.71
Rot. Bonds3

About 4,5-dimethoxy-2-methylbenzoic acid

4,5-dimethoxy-2-methylbenzoic acid (PubChem CID 2752038) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 4,5-dimethoxy-2-methylbenzoic acid.

Molecular Properties

Compound Name4,5-dimethoxy-2-methylbenzoic acid
PubChem CID2752038
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name4,5-dimethoxy-2-methylbenzoic acid
SMILESCOc1cc(C)c(C(=O)O)cc1OC
InChIInChI=1S/C10H12O4/c1-6-4-8(13-2)9(14-3)5-7(6)10(11)12/h4-5H,1-3H3,(H,11,12)
InChIKeyPRPBPUNVOHTNDA-UHFFFAOYSA-N
XLogP1.71
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-methylbenzoic acid?
The IUPAC name of 4,5-dimethoxy-2-methylbenzoic acid (CID 2752038) is 4,5-dimethoxy-2-methylbenzoic acid.
What is the SMILES notation for 4,5-dimethoxy-2-methylbenzoic acid?
The canonical SMILES for 4,5-dimethoxy-2-methylbenzoic acid is COc1cc(C)c(C(=O)O)cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-methylbenzoic acid?
The InChIKey is PRPBPUNVOHTNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-6-4-8(13-2)9(14-3)5-7(6)10(11)12/h4-5H,1-3H3,(H,11,12).
What are the key properties of 4,5-dimethoxy-2-methylbenzoic acid?
4,5-dimethoxy-2-methylbenzoic acid has a molecular weight of 196.20 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-methylbenzoic acid is sourced from PubChem (CID 2752038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).