4-[(4-hydroxyphenyl)methylsulfanylmethyl]phenol

C14H14O2S — CID 23651847

IUPAC4-[(4-hydroxyphenyl)methylsulfanylmethyl]phenol
SMILESOc1ccc(CSCc2ccc(O)cc2)cc1
InChIInChI=1S/C14H14O2S/c15-13-5-1-11(2-6-13)9-17-10-12-3-7-14(16)8-4-12/h1-8,15-16H,9-10H2
InChIKeyOEISQDWSEZCYNH-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.53
Rot. Bonds4

About 4-[(4-hydroxyphenyl)methylsulfanylmethyl]phenol

4-[(4-hydroxyphenyl)methylsulfanylmethyl]phenol (PubChem CID 23651847) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is 4-[(4-hydroxyphenyl)methylsulfanylmethyl]phenol.

Molecular Properties

Compound Name4-[(4-hydroxyphenyl)methylsulfanylmethyl]phenol
PubChem CID23651847
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Name4-[(4-hydroxyphenyl)methylsulfanylmethyl]phenol
SMILESOc1ccc(CSCc2ccc(O)cc2)cc1
InChIInChI=1S/C14H14O2S/c15-13-5-1-11(2-6-13)9-17-10-12-3-7-14(16)8-4-12/h1-8,15-16H,9-10H2
InChIKeyOEISQDWSEZCYNH-UHFFFAOYSA-N
XLogP3.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxyphenyl)methylsulfanylmethyl]phenol?
The IUPAC name of 4-[(4-hydroxyphenyl)methylsulfanylmethyl]phenol (CID 23651847) is 4-[(4-hydroxyphenyl)methylsulfanylmethyl]phenol.
What is the SMILES notation for 4-[(4-hydroxyphenyl)methylsulfanylmethyl]phenol?
The canonical SMILES for 4-[(4-hydroxyphenyl)methylsulfanylmethyl]phenol is Oc1ccc(CSCc2ccc(O)cc2)cc1.
What is the InChIKey of 4-[(4-hydroxyphenyl)methylsulfanylmethyl]phenol?
The InChIKey is OEISQDWSEZCYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S/c15-13-5-1-11(2-6-13)9-17-10-12-3-7-14(16)8-4-12/h1-8,15-16H,9-10H2.
What are the key properties of 4-[(4-hydroxyphenyl)methylsulfanylmethyl]phenol?
4-[(4-hydroxyphenyl)methylsulfanylmethyl]phenol has a molecular weight of 246.33 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxyphenyl)methylsulfanylmethyl]phenol is sourced from PubChem (CID 23651847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).