[4-(4-fluorophenyl)sulfanyl-3-methylphenyl]methanol

C14H13FOS — CID 63813527

IUPAC[4-(4-fluorophenyl)sulfanyl-3-methylphenyl]methanol
SMILESCc1cc(CO)ccc1Sc1ccc(F)cc1
InChIInChI=1S/C14H13FOS/c1-10-8-11(9-16)2-7-14(10)17-13-5-3-12(15)4-6-13/h2-8,16H,9H2,1H3
InChIKeyPXQGMXLRJDKTOJ-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.78
Rot. Bonds3

About [4-(4-fluorophenyl)sulfanyl-3-methylphenyl]methanol

[4-(4-fluorophenyl)sulfanyl-3-methylphenyl]methanol (PubChem CID 63813527) has the molecular formula C14H13FOS and a molecular weight of 248.32 g/mol. Its IUPAC name is [4-(4-fluorophenyl)sulfanyl-3-methylphenyl]methanol.

Molecular Properties

Compound Name[4-(4-fluorophenyl)sulfanyl-3-methylphenyl]methanol
PubChem CID63813527
Molecular FormulaC14H13FOS
Molecular Weight248.32 g/mol
Exact Mass248.07
IUPAC Name[4-(4-fluorophenyl)sulfanyl-3-methylphenyl]methanol
SMILESCc1cc(CO)ccc1Sc1ccc(F)cc1
InChIInChI=1S/C14H13FOS/c1-10-8-11(9-16)2-7-14(10)17-13-5-3-12(15)4-6-13/h2-8,16H,9H2,1H3
InChIKeyPXQGMXLRJDKTOJ-UHFFFAOYSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)sulfanyl-3-methylphenyl]methanol?
The IUPAC name of [4-(4-fluorophenyl)sulfanyl-3-methylphenyl]methanol (CID 63813527) is [4-(4-fluorophenyl)sulfanyl-3-methylphenyl]methanol.
What is the SMILES notation for [4-(4-fluorophenyl)sulfanyl-3-methylphenyl]methanol?
The canonical SMILES for [4-(4-fluorophenyl)sulfanyl-3-methylphenyl]methanol is Cc1cc(CO)ccc1Sc1ccc(F)cc1.
What is the InChIKey of [4-(4-fluorophenyl)sulfanyl-3-methylphenyl]methanol?
The InChIKey is PXQGMXLRJDKTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FOS/c1-10-8-11(9-16)2-7-14(10)17-13-5-3-12(15)4-6-13/h2-8,16H,9H2,1H3.
What are the key properties of [4-(4-fluorophenyl)sulfanyl-3-methylphenyl]methanol?
[4-(4-fluorophenyl)sulfanyl-3-methylphenyl]methanol has a molecular weight of 248.32 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)sulfanyl-3-methylphenyl]methanol is sourced from PubChem (CID 63813527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).