2,6-dihydroxy-3-propylbenzoic acid

C10H12O4 — CID 67658629

IUPAC2,6-dihydroxy-3-propylbenzoic acid
SMILESCCCc1ccc(O)c(C(=O)O)c1O
InChIInChI=1S/C10H12O4/c1-2-3-6-4-5-7(11)8(9(6)12)10(13)14/h4-5,11-12H,2-3H2,1H3,(H,13,14)
InChIKeyGJFYWEIUXXQZLT-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.75
Rot. Bonds3

About 2,6-dihydroxy-3-propylbenzoic acid

2,6-dihydroxy-3-propylbenzoic acid (PubChem CID 67658629) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 2,6-dihydroxy-3-propylbenzoic acid.

Molecular Properties

Compound Name2,6-dihydroxy-3-propylbenzoic acid
PubChem CID67658629
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name2,6-dihydroxy-3-propylbenzoic acid
SMILESCCCc1ccc(O)c(C(=O)O)c1O
InChIInChI=1S/C10H12O4/c1-2-3-6-4-5-7(11)8(9(6)12)10(13)14/h4-5,11-12H,2-3H2,1H3,(H,13,14)
InChIKeyGJFYWEIUXXQZLT-UHFFFAOYSA-N
XLogP1.75
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2,6-dihydroxy-3-propylbenzoic 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

2,6-dihydroxy-3-pentylbenzoic acid
CID 91382378
2-amino-3-hydroxy-4-propylbenzoic acid
CID 12532264
2-cyano-3-ethyl-6-hydroxybenzoic acid
CID 118994597
2,6-dihydroxy-3-(1H-imidazol-5-ylmethyl)benzoic acid
CID 67898620
6-amino-2-methyl-3-propylbenzoic acid
CID 91609404
2-amino-3,6-dipropylphenol
CID 134347282
2-hydroxy-6-octylbenzoic acid
CID 14298684
2-dodecyl-6-hydroxybenzoic acid
CID 10244659
5-hydroxy-2-propylbenzoic acid
CID 23105136
6-(2-chloroethyl)-2,3-dihydroxybenzoic acid
CID 69498820
6-(9-hexoxynonyl)-2,3-dihydroxybenzoic acid
CID 69498679
6-(6-butoxyhexyl)-2,3-dihydroxybenzoic acid
CID 69498453

Frequently Asked Questions

What is the IUPAC name of 2,6-dihydroxy-3-propylbenzoic acid?
The IUPAC name of 2,6-dihydroxy-3-propylbenzoic acid (CID 67658629) is 2,6-dihydroxy-3-propylbenzoic acid.
What is the SMILES notation for 2,6-dihydroxy-3-propylbenzoic acid?
The canonical SMILES for 2,6-dihydroxy-3-propylbenzoic acid is CCCc1ccc(O)c(C(=O)O)c1O.
What is the InChIKey of 2,6-dihydroxy-3-propylbenzoic acid?
The InChIKey is GJFYWEIUXXQZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-2-3-6-4-5-7(11)8(9(6)12)10(13)14/h4-5,11-12H,2-3H2,1H3,(H,13,14).
What are the key properties of 2,6-dihydroxy-3-propylbenzoic acid?
2,6-dihydroxy-3-propylbenzoic acid has a molecular weight of 196.20 g/mol, XLogP of 1.75, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dihydroxy-3-propylbenzoic acid is sourced from PubChem (CID 67658629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).