2-methoxy-4,5-dimethylbenzoic acid

C10H12O3 — CID 15715213

IUPAC2-methoxy-4,5-dimethylbenzoic acid
SMILESCOc1cc(C)c(C)cc1C(=O)O
InChIInChI=1S/C10H12O3/c1-6-4-8(10(11)12)9(13-3)5-7(6)2/h4-5H,1-3H3,(H,11,12)
InChIKeyHATRJAVAPAPTBH-UHFFFAOYSA-N
MW180.20 g/mol
LogP2.01
Rot. Bonds2

About 2-methoxy-4,5-dimethylbenzoic acid

2-methoxy-4,5-dimethylbenzoic acid (PubChem CID 15715213) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 2-methoxy-4,5-dimethylbenzoic acid.

Molecular Properties

Compound Name2-methoxy-4,5-dimethylbenzoic acid
PubChem CID15715213
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name2-methoxy-4,5-dimethylbenzoic acid
SMILESCOc1cc(C)c(C)cc1C(=O)O
InChIInChI=1S/C10H12O3/c1-6-4-8(10(11)12)9(13-3)5-7(6)2/h4-5H,1-3H3,(H,11,12)
InChIKeyHATRJAVAPAPTBH-UHFFFAOYSA-N
XLogP2.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,5-dimethylbenzoic acid?
The IUPAC name of 2-methoxy-4,5-dimethylbenzoic acid (CID 15715213) is 2-methoxy-4,5-dimethylbenzoic acid.
What is the SMILES notation for 2-methoxy-4,5-dimethylbenzoic acid?
The canonical SMILES for 2-methoxy-4,5-dimethylbenzoic acid is COc1cc(C)c(C)cc1C(=O)O.
What is the InChIKey of 2-methoxy-4,5-dimethylbenzoic acid?
The InChIKey is HATRJAVAPAPTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-6-4-8(10(11)12)9(13-3)5-7(6)2/h4-5H,1-3H3,(H,11,12).
What are the key properties of 2-methoxy-4,5-dimethylbenzoic acid?
2-methoxy-4,5-dimethylbenzoic acid has a molecular weight of 180.20 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,5-dimethylbenzoic acid is sourced from PubChem (CID 15715213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).