4-(4-ethylsulfanylphenyl)-2-hydroxybenzoic acid

C15H14O3S — CID 53227307

IUPAC4-(4-ethylsulfanylphenyl)-2-hydroxybenzoic acid
SMILESCCSc1ccc(-c2ccc(C(=O)O)c(O)c2)cc1
InChIInChI=1S/C15H14O3S/c1-2-19-12-6-3-10(4-7-12)11-5-8-13(15(17)18)14(16)9-11/h3-9,16H,2H2,1H3,(H,17,18)
InChIKeyLBHMLMJXHLOFDI-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.87
Rot. Bonds4

About 4-(4-ethylsulfanylphenyl)-2-hydroxybenzoic acid

4-(4-ethylsulfanylphenyl)-2-hydroxybenzoic acid (PubChem CID 53227307) has the molecular formula C15H14O3S and a molecular weight of 274.34 g/mol. Its IUPAC name is 4-(4-ethylsulfanylphenyl)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-(4-ethylsulfanylphenyl)-2-hydroxybenzoic acid
PubChem CID53227307
Molecular FormulaC15H14O3S
Molecular Weight274.34 g/mol
Exact Mass274.07
IUPAC Name4-(4-ethylsulfanylphenyl)-2-hydroxybenzoic acid
SMILESCCSc1ccc(-c2ccc(C(=O)O)c(O)c2)cc1
InChIInChI=1S/C15H14O3S/c1-2-19-12-6-3-10(4-7-12)11-5-8-13(15(17)18)14(16)9-11/h3-9,16H,2H2,1H3,(H,17,18)
InChIKeyLBHMLMJXHLOFDI-UHFFFAOYSA-N
XLogP3.87
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylsulfanylphenyl)-2-hydroxybenzoic acid?
The IUPAC name of 4-(4-ethylsulfanylphenyl)-2-hydroxybenzoic acid (CID 53227307) is 4-(4-ethylsulfanylphenyl)-2-hydroxybenzoic acid.
What is the SMILES notation for 4-(4-ethylsulfanylphenyl)-2-hydroxybenzoic acid?
The canonical SMILES for 4-(4-ethylsulfanylphenyl)-2-hydroxybenzoic acid is CCSc1ccc(-c2ccc(C(=O)O)c(O)c2)cc1.
What is the InChIKey of 4-(4-ethylsulfanylphenyl)-2-hydroxybenzoic acid?
The InChIKey is LBHMLMJXHLOFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3S/c1-2-19-12-6-3-10(4-7-12)11-5-8-13(15(17)18)14(16)9-11/h3-9,16H,2H2,1H3,(H,17,18).
What are the key properties of 4-(4-ethylsulfanylphenyl)-2-hydroxybenzoic acid?
4-(4-ethylsulfanylphenyl)-2-hydroxybenzoic acid has a molecular weight of 274.34 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylsulfanylphenyl)-2-hydroxybenzoic acid is sourced from PubChem (CID 53227307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).