3-ethyl-2-hydroxy-6-methylbenzoic acid

C10H12O3 — CID 30234

IUPAC3-ethyl-2-hydroxy-6-methylbenzoic acid
SMILESCCc1ccc(C)c(C(=O)O)c1O
InChIInChI=1S/C10H12O3/c1-3-7-5-4-6(2)8(9(7)11)10(12)13/h4-5,11H,3H2,1-2H3,(H,12,13)
InChIKeyYZEVAVNJHBUZFP-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.96
Rot. Bonds2

About 3-ethyl-2-hydroxy-6-methylbenzoic acid

3-ethyl-2-hydroxy-6-methylbenzoic acid (PubChem CID 30234) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 3-ethyl-2-hydroxy-6-methylbenzoic acid.

Molecular Properties

Compound Name3-ethyl-2-hydroxy-6-methylbenzoic acid
PubChem CID30234
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name3-ethyl-2-hydroxy-6-methylbenzoic acid
SMILESCCc1ccc(C)c(C(=O)O)c1O
InChIInChI=1S/C10H12O3/c1-3-7-5-4-6(2)8(9(7)11)10(12)13/h4-5,11H,3H2,1-2H3,(H,12,13)
InChIKeyYZEVAVNJHBUZFP-UHFFFAOYSA-N
XLogP1.96
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-hydroxy-6-methylbenzoic acid?
The IUPAC name of 3-ethyl-2-hydroxy-6-methylbenzoic acid (CID 30234) is 3-ethyl-2-hydroxy-6-methylbenzoic acid.
What is the SMILES notation for 3-ethyl-2-hydroxy-6-methylbenzoic acid?
The canonical SMILES for 3-ethyl-2-hydroxy-6-methylbenzoic acid is CCc1ccc(C)c(C(=O)O)c1O.
What is the InChIKey of 3-ethyl-2-hydroxy-6-methylbenzoic acid?
The InChIKey is YZEVAVNJHBUZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-3-7-5-4-6(2)8(9(7)11)10(12)13/h4-5,11H,3H2,1-2H3,(H,12,13).
What are the key properties of 3-ethyl-2-hydroxy-6-methylbenzoic acid?
3-ethyl-2-hydroxy-6-methylbenzoic acid has a molecular weight of 180.20 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-hydroxy-6-methylbenzoic acid is sourced from PubChem (CID 30234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).