2-hydroxy-4-methylbenzoic acid

C8H8O3 — CID 5788

IUPAC2-hydroxy-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C8H8O3/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3,(H,10,11)
InChIKeyNJESAXZANHETJV-UHFFFAOYSA-N
MW152.15 g/mol
LogP1.40
Rot. Bonds1

About 2-hydroxy-4-methylbenzoic acid

2-hydroxy-4-methylbenzoic acid (PubChem CID 5788) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is 2-hydroxy-4-methylbenzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-methylbenzoic acid
PubChem CID5788
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Name2-hydroxy-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C8H8O3/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3,(H,10,11)
InChIKeyNJESAXZANHETJV-UHFFFAOYSA-N
XLogP1.40
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methylbenzoic acid?
The IUPAC name of 2-hydroxy-4-methylbenzoic acid (CID 5788) is 2-hydroxy-4-methylbenzoic acid.
What is the SMILES notation for 2-hydroxy-4-methylbenzoic acid?
The canonical SMILES for 2-hydroxy-4-methylbenzoic acid is Cc1ccc(C(=O)O)c(O)c1.
What is the InChIKey of 2-hydroxy-4-methylbenzoic acid?
The InChIKey is NJESAXZANHETJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3,(H,10,11).
What are the key properties of 2-hydroxy-4-methylbenzoic acid?
2-hydroxy-4-methylbenzoic acid has a molecular weight of 152.15 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methylbenzoic acid is sourced from PubChem (CID 5788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).