3-(2-hydroxyphenyl)sulfinylpropanoic acid

C9H10O4S — CID 84680335

IUPAC3-(2-hydroxyphenyl)sulfinylpropanoic acid
SMILESO=C(O)CCS(=O)c1ccccc1O
InChIInChI=1S/C9H10O4S/c10-7-3-1-2-4-8(7)14(13)6-5-9(11)12/h1-4,10H,5-6H2,(H,11,12)
InChIKeyVJKQZNFRAMJEDS-UHFFFAOYSA-N
MW214.24 g/mol
LogP0.97
Rot. Bonds4

About 3-(2-hydroxyphenyl)sulfinylpropanoic acid

3-(2-hydroxyphenyl)sulfinylpropanoic acid (PubChem CID 84680335) has the molecular formula C9H10O4S and a molecular weight of 214.24 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)sulfinylpropanoic acid.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)sulfinylpropanoic acid
PubChem CID84680335
Molecular FormulaC9H10O4S
Molecular Weight214.24 g/mol
Exact Mass214.03
IUPAC Name3-(2-hydroxyphenyl)sulfinylpropanoic acid
SMILESO=C(O)CCS(=O)c1ccccc1O
InChIInChI=1S/C9H10O4S/c10-7-3-1-2-4-8(7)14(13)6-5-9(11)12/h1-4,10H,5-6H2,(H,11,12)
InChIKeyVJKQZNFRAMJEDS-UHFFFAOYSA-N
XLogP0.97
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylphenyl)sulfinylpropanoic acid
CID 61303171
2-butylsulfinylphenol
CID 588406
2-[(R)-benzylsulfinyl]phenol
CID 139142856
3-(4-hydroxyphenyl)sulfinylpropanoic acid
CID 70579893
4-(2-nitrophenyl)sulfinylbutanoic acid
CID 61303159
2-[(E)-but-2-enyl]sulfinylphenol
CID 5364817
5-(2-methoxyphenyl)sulfinylpentanoic acid
CID 61290365
butanedioic acid;2-hydroxybenzoic acid
CID 68741404
bis[4-(2-hydroxyphenyl)sulfinylbutoxy]-oxophosphanium
CID 57023847
methyl 3-(2-methylphenyl)sulfinylpropanoate
CID 61303374
2-[(S)-propan-2-ylsulfinyl]phenol
CID 92860046
methyl 3-(2-fluorophenyl)sulfinylpropanoate
CID 61303739

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)sulfinylpropanoic acid?
The IUPAC name of 3-(2-hydroxyphenyl)sulfinylpropanoic acid (CID 84680335) is 3-(2-hydroxyphenyl)sulfinylpropanoic acid.
What is the SMILES notation for 3-(2-hydroxyphenyl)sulfinylpropanoic acid?
The canonical SMILES for 3-(2-hydroxyphenyl)sulfinylpropanoic acid is O=C(O)CCS(=O)c1ccccc1O.
What is the InChIKey of 3-(2-hydroxyphenyl)sulfinylpropanoic acid?
The InChIKey is VJKQZNFRAMJEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4S/c10-7-3-1-2-4-8(7)14(13)6-5-9(11)12/h1-4,10H,5-6H2,(H,11,12).
What are the key properties of 3-(2-hydroxyphenyl)sulfinylpropanoic acid?
3-(2-hydroxyphenyl)sulfinylpropanoic acid has a molecular weight of 214.24 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)sulfinylpropanoic acid is sourced from PubChem (CID 84680335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).