2-hydroxy-5-[(1S)-1-hydroxyethyl]benzoic acid

C9H10O4 — CID 131037950

IUPAC2-hydroxy-5-[(1S)-1-hydroxyethyl]benzoic acid
SMILESC[C@H](O)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C9H10O4/c1-5(10)6-2-3-8(11)7(4-6)9(12)13/h2-5,10-11H,1H3,(H,12,13)/t5-/m0/s1
InChIKeyQKTACLJHVGTWSN-YFKPBYRVSA-N
MW182.17 g/mol
LogP1.14
Rot. Bonds2

About 2-hydroxy-5-[(1S)-1-hydroxyethyl]benzoic acid

2-hydroxy-5-[(1S)-1-hydroxyethyl]benzoic acid (PubChem CID 131037950) has the molecular formula C9H10O4 and a molecular weight of 182.17 g/mol. Its IUPAC name is 2-hydroxy-5-[(1S)-1-hydroxyethyl]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[(1S)-1-hydroxyethyl]benzoic acid
PubChem CID131037950
Molecular FormulaC9H10O4
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Name2-hydroxy-5-[(1S)-1-hydroxyethyl]benzoic acid
SMILESC[C@H](O)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C9H10O4/c1-5(10)6-2-3-8(11)7(4-6)9(12)13/h2-5,10-11H,1H3,(H,12,13)/t5-/m0/s1
InChIKeyQKTACLJHVGTWSN-YFKPBYRVSA-N
XLogP1.14
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-5-propan-2-ylbenzoic acid
CID 12540049
2-hydroxy-5-(1-phenylethyl)benzoic acid
CID 11402235
2-hydroxy-5-[(1R)-1-(methylamino)ethyl]benzoic acid
CID 55276012
5-[1-(2,5-dihydroxyphenyl)ethyl]-2-hydroxybenzoic acid
CID 90285728
2-hydroxy-5-[tris(4-propan-2-ylphenyl)methyl]benzoic acid
CID 139751321
5-[1,3-bis(4-chlorophenyl)butyl]-2-hydroxybenzoic acid
CID 151214725
5-[(1R)-1-aminopentyl]-2-hydroxybenzoic acid
CID 171211681
5-(1-amino-2-sulfanylethyl)-2-hydroxybenzoic acid
CID 142463282
5-[(1S)-1-amino-2-sulfanylethyl]-2-hydroxybenzoic acid
CID 137455023
2,5-dihydroxybenzoic acid;methanol
CID 174970806
5-[bis(2,3-dimethylphenyl)methyl]-2-hydroxybenzoic acid
CID 139751283
4-(1-hydroxyethyl)-2-propan-2-ylphenol
CID 82265836

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[(1S)-1-hydroxyethyl]benzoic acid?
The IUPAC name of 2-hydroxy-5-[(1S)-1-hydroxyethyl]benzoic acid (CID 131037950) is 2-hydroxy-5-[(1S)-1-hydroxyethyl]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[(1S)-1-hydroxyethyl]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[(1S)-1-hydroxyethyl]benzoic acid is C[C@H](O)c1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 2-hydroxy-5-[(1S)-1-hydroxyethyl]benzoic acid?
The InChIKey is QKTACLJHVGTWSN-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H10O4/c1-5(10)6-2-3-8(11)7(4-6)9(12)13/h2-5,10-11H,1H3,(H,12,13)/t5-/m0/s1.
What are the key properties of 2-hydroxy-5-[(1S)-1-hydroxyethyl]benzoic acid?
2-hydroxy-5-[(1S)-1-hydroxyethyl]benzoic acid has a molecular weight of 182.17 g/mol, XLogP of 1.14, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[(1S)-1-hydroxyethyl]benzoic acid is sourced from PubChem (CID 131037950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).