4-methoxy-2-(phenylsulfanylmethyl)phenol

C14H14O2S — CID 12561120

IUPAC4-methoxy-2-(phenylsulfanylmethyl)phenol
SMILESCOc1ccc(O)c(CSc2ccccc2)c1
InChIInChI=1S/C14H14O2S/c1-16-12-7-8-14(15)11(9-12)10-17-13-5-3-2-4-6-13/h2-9,15H,10H2,1H3
InChIKeyAIOQIGOQLVEMRD-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.69
Rot. Bonds4

About 4-methoxy-2-(phenylsulfanylmethyl)phenol

4-methoxy-2-(phenylsulfanylmethyl)phenol (PubChem CID 12561120) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is 4-methoxy-2-(phenylsulfanylmethyl)phenol.

Molecular Properties

Compound Name4-methoxy-2-(phenylsulfanylmethyl)phenol
PubChem CID12561120
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Name4-methoxy-2-(phenylsulfanylmethyl)phenol
SMILESCOc1ccc(O)c(CSc2ccccc2)c1
InChIInChI=1S/C14H14O2S/c1-16-12-7-8-14(15)11(9-12)10-17-13-5-3-2-4-6-13/h2-9,15H,10H2,1H3
InChIKeyAIOQIGOQLVEMRD-UHFFFAOYSA-N
XLogP3.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(phenylsulfanylmethyl)phenol?
The IUPAC name of 4-methoxy-2-(phenylsulfanylmethyl)phenol (CID 12561120) is 4-methoxy-2-(phenylsulfanylmethyl)phenol.
What is the SMILES notation for 4-methoxy-2-(phenylsulfanylmethyl)phenol?
The canonical SMILES for 4-methoxy-2-(phenylsulfanylmethyl)phenol is COc1ccc(O)c(CSc2ccccc2)c1.
What is the InChIKey of 4-methoxy-2-(phenylsulfanylmethyl)phenol?
The InChIKey is AIOQIGOQLVEMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S/c1-16-12-7-8-14(15)11(9-12)10-17-13-5-3-2-4-6-13/h2-9,15H,10H2,1H3.
What are the key properties of 4-methoxy-2-(phenylsulfanylmethyl)phenol?
4-methoxy-2-(phenylsulfanylmethyl)phenol has a molecular weight of 246.33 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(phenylsulfanylmethyl)phenol is sourced from PubChem (CID 12561120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).