4-hydroxy-3-(1-hydroxypentyl)benzoic acid

C12H16O4 — CID 10466191

IUPAC4-hydroxy-3-(1-hydroxypentyl)benzoic acid
SMILESCCCCC(O)c1cc(C(=O)O)ccc1O
InChIInChI=1S/C12H16O4/c1-2-3-4-10(13)9-7-8(12(15)16)5-6-11(9)14/h5-7,10,13-14H,2-4H2,1H3,(H,15,16)
InChIKeySQHQDVNANXVULC-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.31
Rot. Bonds5

About 4-hydroxy-3-(1-hydroxypentyl)benzoic acid

4-hydroxy-3-(1-hydroxypentyl)benzoic acid (PubChem CID 10466191) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-hydroxy-3-(1-hydroxypentyl)benzoic acid.

Molecular Properties

Compound Name4-hydroxy-3-(1-hydroxypentyl)benzoic acid
PubChem CID10466191
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name4-hydroxy-3-(1-hydroxypentyl)benzoic acid
SMILESCCCCC(O)c1cc(C(=O)O)ccc1O
InChIInChI=1S/C12H16O4/c1-2-3-4-10(13)9-7-8(12(15)16)5-6-11(9)14/h5-7,10,13-14H,2-4H2,1H3,(H,15,16)
InChIKeySQHQDVNANXVULC-UHFFFAOYSA-N
XLogP2.31
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-hydroxy-3-(1-hydroxypentyl)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-hydroxy-3-(1-phenylhexyl)benzoic acid
CID 123966093
3-(1-aminopentyl)-4-fluorobenzoic acid
CID 138110302
2-[(1R)-1-hydroxyundecyl]-4-methylphenol
CID 98151788
4-hydroxy-3-(1,2,3-trihydroxypropyl)benzoic acid
CID 170818202
3-(3-amino-1,2-dihydroxypropyl)-4-hydroxybenzoic acid
CID 170828381
3-(3-amino-1,2-dihydroxy-3-oxopropyl)-4-hydroxybenzoic acid
CID 171868523
3-[(1S)-1-amino-2-hydroxyethyl]-4-hydroxybenzoic acid
CID 55276793
4-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-3-hydroxybenzoic acid
CID 171866460
3-[(S)-amino(carboxy)methyl]-4-hydroxybenzoic acid
CID 66512316
5-tert-butyl-3-ethyl-2,2-dimethylnonane;4-hydroxybenzoic acid
CID 70572176
5-bromo-2-[(1S)-1-hydroxypentyl]benzoic acid
CID 132525503
3,4-dihydroxybenzoic acid;2,3-dihydroxybutanedioic acid
CID 159794787

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(1-hydroxypentyl)benzoic acid?
The IUPAC name of 4-hydroxy-3-(1-hydroxypentyl)benzoic acid (CID 10466191) is 4-hydroxy-3-(1-hydroxypentyl)benzoic acid.
What is the SMILES notation for 4-hydroxy-3-(1-hydroxypentyl)benzoic acid?
The canonical SMILES for 4-hydroxy-3-(1-hydroxypentyl)benzoic acid is CCCCC(O)c1cc(C(=O)O)ccc1O.
What is the InChIKey of 4-hydroxy-3-(1-hydroxypentyl)benzoic acid?
The InChIKey is SQHQDVNANXVULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-2-3-4-10(13)9-7-8(12(15)16)5-6-11(9)14/h5-7,10,13-14H,2-4H2,1H3,(H,15,16).
What are the key properties of 4-hydroxy-3-(1-hydroxypentyl)benzoic acid?
4-hydroxy-3-(1-hydroxypentyl)benzoic acid has a molecular weight of 224.26 g/mol, XLogP of 2.31, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(1-hydroxypentyl)benzoic acid is sourced from PubChem (CID 10466191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).