3-(4-hydroxyphenyl)sulfanylbenzoic acid

C13H10O3S — CID 14739701

IUPAC3-(4-hydroxyphenyl)sulfanylbenzoic acid
SMILESO=C(O)c1cccc(Sc2ccc(O)cc2)c1
InChIInChI=1S/C13H10O3S/c14-10-4-6-11(7-5-10)17-12-3-1-2-9(8-12)13(15)16/h1-8,14H,(H,15,16)
InChIKeyIKZIEHJSODHPOB-UHFFFAOYSA-N
MW246.29 g/mol
LogP3.24
Rot. Bonds3

About 3-(4-hydroxyphenyl)sulfanylbenzoic acid

3-(4-hydroxyphenyl)sulfanylbenzoic acid (PubChem CID 14739701) has the molecular formula C13H10O3S and a molecular weight of 246.29 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)sulfanylbenzoic acid.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)sulfanylbenzoic acid
PubChem CID14739701
Molecular FormulaC13H10O3S
Molecular Weight246.29 g/mol
Exact Mass246.04
IUPAC Name3-(4-hydroxyphenyl)sulfanylbenzoic acid
SMILESO=C(O)c1cccc(Sc2ccc(O)cc2)c1
InChIInChI=1S/C13H10O3S/c14-10-4-6-11(7-5-10)17-12-3-1-2-9(8-12)13(15)16/h1-8,14H,(H,15,16)
InChIKeyIKZIEHJSODHPOB-UHFFFAOYSA-N
XLogP3.24
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)sulfanylbenzoic acid?
The IUPAC name of 3-(4-hydroxyphenyl)sulfanylbenzoic acid (CID 14739701) is 3-(4-hydroxyphenyl)sulfanylbenzoic acid.
What is the SMILES notation for 3-(4-hydroxyphenyl)sulfanylbenzoic acid?
The canonical SMILES for 3-(4-hydroxyphenyl)sulfanylbenzoic acid is O=C(O)c1cccc(Sc2ccc(O)cc2)c1.
What is the InChIKey of 3-(4-hydroxyphenyl)sulfanylbenzoic acid?
The InChIKey is IKZIEHJSODHPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O3S/c14-10-4-6-11(7-5-10)17-12-3-1-2-9(8-12)13(15)16/h1-8,14H,(H,15,16).
What are the key properties of 3-(4-hydroxyphenyl)sulfanylbenzoic acid?
3-(4-hydroxyphenyl)sulfanylbenzoic acid has a molecular weight of 246.29 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)sulfanylbenzoic acid is sourced from PubChem (CID 14739701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).