3-(difluoromethyl)-2-methoxy-6-methylbenzoic acid

C10H10F2O3 — CID 84681562

IUPAC3-(difluoromethyl)-2-methoxy-6-methylbenzoic acid
SMILESCOc1c(C(F)F)ccc(C)c1C(=O)O
InChIInChI=1S/C10H10F2O3/c1-5-3-4-6(9(11)12)8(15-2)7(5)10(13)14/h3-4,9H,1-2H3,(H,13,14)
InChIKeyWRUWEDGHKXHPQH-UHFFFAOYSA-N
MW216.18 g/mol
LogP2.64
Rot. Bonds3

About 3-(difluoromethyl)-2-methoxy-6-methylbenzoic acid

3-(difluoromethyl)-2-methoxy-6-methylbenzoic acid (PubChem CID 84681562) has the molecular formula C10H10F2O3 and a molecular weight of 216.18 g/mol. Its IUPAC name is 3-(difluoromethyl)-2-methoxy-6-methylbenzoic acid.

Molecular Properties

Compound Name3-(difluoromethyl)-2-methoxy-6-methylbenzoic acid
PubChem CID84681562
Molecular FormulaC10H10F2O3
Molecular Weight216.18 g/mol
Exact Mass216.06
IUPAC Name3-(difluoromethyl)-2-methoxy-6-methylbenzoic acid
SMILESCOc1c(C(F)F)ccc(C)c1C(=O)O
InChIInChI=1S/C10H10F2O3/c1-5-3-4-6(9(11)12)8(15-2)7(5)10(13)14/h3-4,9H,1-2H3,(H,13,14)
InChIKeyWRUWEDGHKXHPQH-UHFFFAOYSA-N
XLogP2.64
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.18
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(difluoromethyl)-2-methoxy-6-methylbenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-3-[3-(difluoromethyl)-2-methoxy-6-methylphenyl]propanoic acid
CID 117401245
6-fluoro-2-methoxy-3-methylbenzoic acid
CID 84659421
2-(difluoromethoxy)-3-formyl-6-methylbenzoic acid
CID 171026572
2-methoxycarbonyl-3,6-dimethylbenzoic acid
CID 103845883
6-chloro-2-(difluoromethyl)-3-methylbenzoic acid
CID 155821945
2-(aminomethyl)-5-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid
CID 133085035
1-[3-(difluoromethyl)-2-methoxy-6-methylphenyl]-2-(methylamino)ethanol
CID 117364611
2-[3-(difluoromethyl)-2-methoxy-6-methylphenyl]acetonitrile
CID 84781471
2-(difluoromethyl)-4,6-dimethylbenzoic acid
CID 131256404
3-(difluoromethyl)-2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]benzoic acid
CID 170201859
3-amino-2-[3-(difluoromethyl)-2-methoxyphenyl]propanoic acid
CID 117364253
2-bromo-5-(difluoromethyl)-4-methoxypyridine-3-carboxamide
CID 119011099

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2-methoxy-6-methylbenzoic acid?
The IUPAC name of 3-(difluoromethyl)-2-methoxy-6-methylbenzoic acid (CID 84681562) is 3-(difluoromethyl)-2-methoxy-6-methylbenzoic acid.
What is the SMILES notation for 3-(difluoromethyl)-2-methoxy-6-methylbenzoic acid?
The canonical SMILES for 3-(difluoromethyl)-2-methoxy-6-methylbenzoic acid is COc1c(C(F)F)ccc(C)c1C(=O)O.
What is the InChIKey of 3-(difluoromethyl)-2-methoxy-6-methylbenzoic acid?
The InChIKey is WRUWEDGHKXHPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O3/c1-5-3-4-6(9(11)12)8(15-2)7(5)10(13)14/h3-4,9H,1-2H3,(H,13,14).
What are the key properties of 3-(difluoromethyl)-2-methoxy-6-methylbenzoic acid?
3-(difluoromethyl)-2-methoxy-6-methylbenzoic acid has a molecular weight of 216.18 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-2-methoxy-6-methylbenzoic acid is sourced from PubChem (CID 84681562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).