5-[2-(benzenesulfinyl)ethoxy]-2-hydroxybenzoic acid

C15H14O5S — CID 19906015

IUPAC5-[2-(benzenesulfinyl)ethoxy]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(OCCS(=O)c2ccccc2)ccc1O
InChIInChI=1S/C15H14O5S/c16-14-7-6-11(10-13(14)15(17)18)20-8-9-21(19)12-4-2-1-3-5-12/h1-7,10,16H,8-9H2,(H,17,18)
InChIKeyMQHFHBRHKBQTSX-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.28
Rot. Bonds6

About 5-[2-(benzenesulfinyl)ethoxy]-2-hydroxybenzoic acid

5-[2-(benzenesulfinyl)ethoxy]-2-hydroxybenzoic acid (PubChem CID 19906015) has the molecular formula C15H14O5S and a molecular weight of 306.34 g/mol. Its IUPAC name is 5-[2-(benzenesulfinyl)ethoxy]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[2-(benzenesulfinyl)ethoxy]-2-hydroxybenzoic acid
PubChem CID19906015
Molecular FormulaC15H14O5S
Molecular Weight306.34 g/mol
Exact Mass306.06
IUPAC Name5-[2-(benzenesulfinyl)ethoxy]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(OCCS(=O)c2ccccc2)ccc1O
InChIInChI=1S/C15H14O5S/c16-14-7-6-11(10-13(14)15(17)18)20-8-9-21(19)12-4-2-1-3-5-12/h1-7,10,16H,8-9H2,(H,17,18)
InChIKeyMQHFHBRHKBQTSX-UHFFFAOYSA-N
XLogP2.28
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[2-(benzenesulfinyl)ethoxy]-2-hydroxybenzoic 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-hydroxy-5-[2-(2-methylphenyl)sulfinylethoxy]benzoic acid
CID 57085368
5-[2-(benzenesulfonyl)ethoxy]-2-hydroxybenzoic acid
CID 19106295
5-hexoxy-2-hydroxybenzoic acid
CID 19036724
5-hexadecoxy-2-hydroxybenzoic acid
CID 21495003
2-hydroxy-5-[(3-hydroxyphenyl)methoxy]benzoic acid
CID 71036830
2-hydroxy-5-[2-(3-hydroxyphenyl)sulfonylethoxy]benzoic acid
CID 54486276
4-[3-(4-carboxy-3-hydroxyphenoxy)propoxy]-2-hydroxybenzoic acid
CID 71341364
1-methyl-4-[(S)-2-phenoxyethylsulfinyl]benzene
CID 40513050
2-hydroxy-4-(8-phenoxyoctoxy)benzoic acid;zinc
CID 70268719
5-[2-(4-fluorophenyl)sulfonylethoxy]-2-hydroxybenzoic acid
CID 54007123
2-chloro-5-(4-hydroxybutoxy)benzoic acid
CID 106500457
2-methyl-5-(2-phenoxyethoxy)benzoic acid
CID 59058014

Frequently Asked Questions

What is the IUPAC name of 5-[2-(benzenesulfinyl)ethoxy]-2-hydroxybenzoic acid?
The IUPAC name of 5-[2-(benzenesulfinyl)ethoxy]-2-hydroxybenzoic acid (CID 19906015) is 5-[2-(benzenesulfinyl)ethoxy]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[2-(benzenesulfinyl)ethoxy]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[2-(benzenesulfinyl)ethoxy]-2-hydroxybenzoic acid is O=C(O)c1cc(OCCS(=O)c2ccccc2)ccc1O.
What is the InChIKey of 5-[2-(benzenesulfinyl)ethoxy]-2-hydroxybenzoic acid?
The InChIKey is MQHFHBRHKBQTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O5S/c16-14-7-6-11(10-13(14)15(17)18)20-8-9-21(19)12-4-2-1-3-5-12/h1-7,10,16H,8-9H2,(H,17,18).
What are the key properties of 5-[2-(benzenesulfinyl)ethoxy]-2-hydroxybenzoic acid?
5-[2-(benzenesulfinyl)ethoxy]-2-hydroxybenzoic acid has a molecular weight of 306.34 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(benzenesulfinyl)ethoxy]-2-hydroxybenzoic acid is sourced from PubChem (CID 19906015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).