2-hydroxy-6-[(2S)-2-hydroxypropyl]benzoic acid

C10H12O4 — CID 162921751

IUPAC2-hydroxy-6-[(2S)-2-hydroxypropyl]benzoic acid
SMILESC[C@H](O)Cc1cccc(O)c1C(=O)O
InChIInChI=1S/C10H12O4/c1-6(11)5-7-3-2-4-8(12)9(7)10(13)14/h2-4,6,11-12H,5H2,1H3,(H,13,14)/t6-/m0/s1
InChIKeyOPRRKXOAGMZJPR-LURJTMIESA-N
MW196.20 g/mol
LogP1.01
Rot. Bonds3

About 2-hydroxy-6-[(2S)-2-hydroxypropyl]benzoic acid

2-hydroxy-6-[(2S)-2-hydroxypropyl]benzoic acid (PubChem CID 162921751) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 2-hydroxy-6-[(2S)-2-hydroxypropyl]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-6-[(2S)-2-hydroxypropyl]benzoic acid
PubChem CID162921751
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name2-hydroxy-6-[(2S)-2-hydroxypropyl]benzoic acid
SMILESC[C@H](O)Cc1cccc(O)c1C(=O)O
InChIInChI=1S/C10H12O4/c1-6(11)5-7-3-2-4-8(12)9(7)10(13)14/h2-4,6,11-12H,5H2,1H3,(H,13,14)/t6-/m0/s1
InChIKeyOPRRKXOAGMZJPR-LURJTMIESA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-hydroxy-6-[(2S)-2-hydroxypropyl]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

2-[2-(2-hydroxypropyl)phenyl]acetic acid
CID 117111520
2-hydroxy-6-(16-hydroxyheptadec-8-enyl)benzoic acid
CID 75048986
3-hydroxy-2-(2-hydroxypropyl)benzoic acid
CID 174903948
3-[2-(2-hydroxypropoxy)propyl]phthalic acid
CID 139699680
2-hydroxy-6-octylbenzoic acid
CID 14298684
2-dodecyl-6-hydroxybenzoic acid
CID 10244659
2,6-dihydroxybenzoic acid;hydrate
CID 169225453
2-[(2R)-2-aminopropyl]-6-chlorobenzoic acid
CID 131123294
3-(3-hydroxybutyl)phthalic acid
CID 172943535
2,3-bis(2-hydroxypropyl)naphthalene-1,8-dicarboxylic acid
CID 68522275
ethane;2-hydroxy-6-[(3-methylphenyl)methyl]benzoic acid
CID 54516669
1-[2,3-bis(aminomethyl)phenyl]propan-2-ol
CID 101292367

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-[(2S)-2-hydroxypropyl]benzoic acid?
The IUPAC name of 2-hydroxy-6-[(2S)-2-hydroxypropyl]benzoic acid (CID 162921751) is 2-hydroxy-6-[(2S)-2-hydroxypropyl]benzoic acid.
What is the SMILES notation for 2-hydroxy-6-[(2S)-2-hydroxypropyl]benzoic acid?
The canonical SMILES for 2-hydroxy-6-[(2S)-2-hydroxypropyl]benzoic acid is C[C@H](O)Cc1cccc(O)c1C(=O)O.
What is the InChIKey of 2-hydroxy-6-[(2S)-2-hydroxypropyl]benzoic acid?
The InChIKey is OPRRKXOAGMZJPR-LURJTMIESA-N. The full InChI is InChI=1S/C10H12O4/c1-6(11)5-7-3-2-4-8(12)9(7)10(13)14/h2-4,6,11-12H,5H2,1H3,(H,13,14)/t6-/m0/s1.
What are the key properties of 2-hydroxy-6-[(2S)-2-hydroxypropyl]benzoic acid?
2-hydroxy-6-[(2S)-2-hydroxypropyl]benzoic acid has a molecular weight of 196.20 g/mol, XLogP of 1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-[(2S)-2-hydroxypropyl]benzoic acid is sourced from PubChem (CID 162921751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).