[2-[(4-methylphenyl)methylsulfinyl]phenyl]methanol

C15H16O2S — CID 15312400

IUPAC[2-[(4-methylphenyl)methylsulfinyl]phenyl]methanol
SMILESCc1ccc(CS(=O)c2ccccc2CO)cc1
InChIInChI=1S/C15H16O2S/c1-12-6-8-13(9-7-12)11-18(17)15-5-3-2-4-14(15)10-16/h2-9,16H,10-11H2,1H3
InChIKeyJDFYOOAHMUXWDC-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.80
Rot. Bonds4

About [2-[(4-methylphenyl)methylsulfinyl]phenyl]methanol

[2-[(4-methylphenyl)methylsulfinyl]phenyl]methanol (PubChem CID 15312400) has the molecular formula C15H16O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is [2-[(4-methylphenyl)methylsulfinyl]phenyl]methanol.

Molecular Properties

Compound Name[2-[(4-methylphenyl)methylsulfinyl]phenyl]methanol
PubChem CID15312400
Molecular FormulaC15H16O2S
Molecular Weight260.36 g/mol
Exact Mass260.09
IUPAC Name[2-[(4-methylphenyl)methylsulfinyl]phenyl]methanol
SMILESCc1ccc(CS(=O)c2ccccc2CO)cc1
InChIInChI=1S/C15H16O2S/c1-12-6-8-13(9-7-12)11-18(17)15-5-3-2-4-14(15)10-16/h2-9,16H,10-11H2,1H3
InChIKeyJDFYOOAHMUXWDC-UHFFFAOYSA-N
XLogP2.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-methylphenyl)methylsulfinyl]phenyl]methanol?
The IUPAC name of [2-[(4-methylphenyl)methylsulfinyl]phenyl]methanol (CID 15312400) is [2-[(4-methylphenyl)methylsulfinyl]phenyl]methanol.
What is the SMILES notation for [2-[(4-methylphenyl)methylsulfinyl]phenyl]methanol?
The canonical SMILES for [2-[(4-methylphenyl)methylsulfinyl]phenyl]methanol is Cc1ccc(CS(=O)c2ccccc2CO)cc1.
What is the InChIKey of [2-[(4-methylphenyl)methylsulfinyl]phenyl]methanol?
The InChIKey is JDFYOOAHMUXWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2S/c1-12-6-8-13(9-7-12)11-18(17)15-5-3-2-4-14(15)10-16/h2-9,16H,10-11H2,1H3.
What are the key properties of [2-[(4-methylphenyl)methylsulfinyl]phenyl]methanol?
[2-[(4-methylphenyl)methylsulfinyl]phenyl]methanol has a molecular weight of 260.36 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methylphenyl)methylsulfinyl]phenyl]methanol is sourced from PubChem (CID 15312400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).