4-[3-(4-hydroxyphenyl)-4-sulfanylphenyl]phenol

C18H14O2S — CID 141112604

IUPAC4-[3-(4-hydroxyphenyl)-4-sulfanylphenyl]phenol
SMILESOc1ccc(-c2ccc(S)c(-c3ccc(O)cc3)c2)cc1
InChIInChI=1S/C18H14O2S/c19-15-6-1-12(2-7-15)14-5-10-18(21)17(11-14)13-3-8-16(20)9-4-13/h1-11,19-21H
InChIKeyFYESEJVYRKKHLL-UHFFFAOYSA-N
MW294.38 g/mol
LogP4.72
Rot. Bonds2

About 4-[3-(4-hydroxyphenyl)-4-sulfanylphenyl]phenol

4-[3-(4-hydroxyphenyl)-4-sulfanylphenyl]phenol (PubChem CID 141112604) has the molecular formula C18H14O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 4-[3-(4-hydroxyphenyl)-4-sulfanylphenyl]phenol.

Molecular Properties

Compound Name4-[3-(4-hydroxyphenyl)-4-sulfanylphenyl]phenol
PubChem CID141112604
Molecular FormulaC18H14O2S
Molecular Weight294.38 g/mol
Exact Mass294.07
IUPAC Name4-[3-(4-hydroxyphenyl)-4-sulfanylphenyl]phenol
SMILESOc1ccc(-c2ccc(S)c(-c3ccc(O)cc3)c2)cc1
InChIInChI=1S/C18H14O2S/c19-15-6-1-12(2-7-15)14-5-10-18(21)17(11-14)13-3-8-16(20)9-4-13/h1-11,19-21H
InChIKeyFYESEJVYRKKHLL-UHFFFAOYSA-N
XLogP4.72
TPSA40.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-hydroxyphenyl)-4-sulfanylphenyl]phenol?
The IUPAC name of 4-[3-(4-hydroxyphenyl)-4-sulfanylphenyl]phenol (CID 141112604) is 4-[3-(4-hydroxyphenyl)-4-sulfanylphenyl]phenol.
What is the SMILES notation for 4-[3-(4-hydroxyphenyl)-4-sulfanylphenyl]phenol?
The canonical SMILES for 4-[3-(4-hydroxyphenyl)-4-sulfanylphenyl]phenol is Oc1ccc(-c2ccc(S)c(-c3ccc(O)cc3)c2)cc1.
What is the InChIKey of 4-[3-(4-hydroxyphenyl)-4-sulfanylphenyl]phenol?
The InChIKey is FYESEJVYRKKHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O2S/c19-15-6-1-12(2-7-15)14-5-10-18(21)17(11-14)13-3-8-16(20)9-4-13/h1-11,19-21H.
What are the key properties of 4-[3-(4-hydroxyphenyl)-4-sulfanylphenyl]phenol?
4-[3-(4-hydroxyphenyl)-4-sulfanylphenyl]phenol has a molecular weight of 294.38 g/mol, XLogP of 4.72, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-hydroxyphenyl)-4-sulfanylphenyl]phenol is sourced from PubChem (CID 141112604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).