2-hydroxy-4-(2-methylpropoxy)benzoic acid

C11H14O4 — CID 154092894

IUPAC2-hydroxy-4-(2-methylpropoxy)benzoic acid
SMILESCC(C)COc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C11H14O4/c1-7(2)6-15-8-3-4-9(11(13)14)10(12)5-8/h3-5,7,12H,6H2,1-2H3,(H,13,14)
InChIKeyBPANFWDAAHYHBA-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.13
Rot. Bonds4

About 2-hydroxy-4-(2-methylpropoxy)benzoic acid

2-hydroxy-4-(2-methylpropoxy)benzoic acid (PubChem CID 154092894) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-hydroxy-4-(2-methylpropoxy)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-(2-methylpropoxy)benzoic acid
PubChem CID154092894
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name2-hydroxy-4-(2-methylpropoxy)benzoic acid
SMILESCC(C)COc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C11H14O4/c1-7(2)6-15-8-3-4-9(11(13)14)10(12)5-8/h3-5,7,12H,6H2,1-2H3,(H,13,14)
InChIKeyBPANFWDAAHYHBA-UHFFFAOYSA-N
XLogP2.13
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-hydroxy-4-(2-methylpropoxy)benzoic 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

4-(2,2-difluoroethoxy)-2-hydroxybenzoic acid
CID 10242483
[2-hydroxy-4-(2-methylpropoxy)phenyl]-[4-(2-methylpropoxy)phenyl]methanone
CID 141021495
4-(2-methylpropoxy)-2-propan-2-ylbenzoic acid
CID 155925871
4-[3-(4-carboxy-3-hydroxyphenoxy)propoxy]-2-hydroxybenzoic acid
CID 71341364
2-hydroxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]benzoic acid
CID 19857055
2-(2-methylpropoxy)-4-phenylmethoxybenzoic acid
CID 10709345
(2,4-dihydroxyphenyl)-[4-(2-methylpropoxy)-2-(2-methylpropyl)phenyl]methanone
CID 91613100
2-hydroxy-4-[2-(4-methylphenoxy)ethoxy]benzoic acid
CID 14177358
4-(2-aminoethoxy)-2-hydroxybenzoic acid
CID 18506511
(E)-1-[2-hydroxy-4-(2-methylpropoxy)phenyl]-3-(4-methylphenyl)prop-2-en-1-one
CID 139078667
4-[(4-butan-2-ylphenyl)methoxy]-2-hydroxybenzoic acid
CID 90075851
1-[2-methyl-4-(2-methylpropoxy)phenyl]ethanone
CID 20716286

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(2-methylpropoxy)benzoic acid?
The IUPAC name of 2-hydroxy-4-(2-methylpropoxy)benzoic acid (CID 154092894) is 2-hydroxy-4-(2-methylpropoxy)benzoic acid.
What is the SMILES notation for 2-hydroxy-4-(2-methylpropoxy)benzoic acid?
The canonical SMILES for 2-hydroxy-4-(2-methylpropoxy)benzoic acid is CC(C)COc1ccc(C(=O)O)c(O)c1.
What is the InChIKey of 2-hydroxy-4-(2-methylpropoxy)benzoic acid?
The InChIKey is BPANFWDAAHYHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-7(2)6-15-8-3-4-9(11(13)14)10(12)5-8/h3-5,7,12H,6H2,1-2H3,(H,13,14).
What are the key properties of 2-hydroxy-4-(2-methylpropoxy)benzoic acid?
2-hydroxy-4-(2-methylpropoxy)benzoic acid has a molecular weight of 210.23 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(2-methylpropoxy)benzoic acid is sourced from PubChem (CID 154092894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).