2-hydroxy-3-methyl-6-propan-2-ylbenzoic acid

C11H14O3 — CID 20413

IUPAC2-hydroxy-3-methyl-6-propan-2-ylbenzoic acid
SMILESCc1ccc(C(C)C)c(C(=O)O)c1O
InChIInChI=1S/C11H14O3/c1-6(2)8-5-4-7(3)10(12)9(8)11(13)14/h4-6,12H,1-3H3,(H,13,14)
InChIKeyZHLQYPNVDAMSFD-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.52
Rot. Bonds2

About 2-hydroxy-3-methyl-6-propan-2-ylbenzoic acid

2-hydroxy-3-methyl-6-propan-2-ylbenzoic acid (PubChem CID 20413) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-hydroxy-3-methyl-6-propan-2-ylbenzoic acid.

Molecular Properties

Compound Name2-hydroxy-3-methyl-6-propan-2-ylbenzoic acid
PubChem CID20413
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-hydroxy-3-methyl-6-propan-2-ylbenzoic acid
SMILESCc1ccc(C(C)C)c(C(=O)O)c1O
InChIInChI=1S/C11H14O3/c1-6(2)8-5-4-7(3)10(12)9(8)11(13)14/h4-6,12H,1-3H3,(H,13,14)
InChIKeyZHLQYPNVDAMSFD-UHFFFAOYSA-N
XLogP2.52
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methyl-6-propan-2-ylbenzoic acid?
The IUPAC name of 2-hydroxy-3-methyl-6-propan-2-ylbenzoic acid (CID 20413) is 2-hydroxy-3-methyl-6-propan-2-ylbenzoic acid.
What is the SMILES notation for 2-hydroxy-3-methyl-6-propan-2-ylbenzoic acid?
The canonical SMILES for 2-hydroxy-3-methyl-6-propan-2-ylbenzoic acid is Cc1ccc(C(C)C)c(C(=O)O)c1O.
What is the InChIKey of 2-hydroxy-3-methyl-6-propan-2-ylbenzoic acid?
The InChIKey is ZHLQYPNVDAMSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-6(2)8-5-4-7(3)10(12)9(8)11(13)14/h4-6,12H,1-3H3,(H,13,14).
What are the key properties of 2-hydroxy-3-methyl-6-propan-2-ylbenzoic acid?
2-hydroxy-3-methyl-6-propan-2-ylbenzoic acid has a molecular weight of 194.23 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methyl-6-propan-2-ylbenzoic acid is sourced from PubChem (CID 20413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).