(4-fluorophenyl)-(4-methylsulfanylphenyl)methanol

C14H13FOS — CID 2759039

IUPAC(4-fluorophenyl)-(4-methylsulfanylphenyl)methanol
SMILESCSc1ccc(C(O)c2ccc(F)cc2)cc1
InChIInChI=1S/C14H13FOS/c1-17-13-8-4-11(5-9-13)14(16)10-2-6-12(15)7-3-10/h2-9,14,16H,1H3
InChIKeyLDKVLIOZSUOIRZ-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.63
Rot. Bonds3

About (4-fluorophenyl)-(4-methylsulfanylphenyl)methanol

(4-fluorophenyl)-(4-methylsulfanylphenyl)methanol (PubChem CID 2759039) has the molecular formula C14H13FOS and a molecular weight of 248.32 g/mol. Its IUPAC name is (4-fluorophenyl)-(4-methylsulfanylphenyl)methanol.

Molecular Properties

Compound Name(4-fluorophenyl)-(4-methylsulfanylphenyl)methanol
PubChem CID2759039
Molecular FormulaC14H13FOS
Molecular Weight248.32 g/mol
Exact Mass248.07
IUPAC Name(4-fluorophenyl)-(4-methylsulfanylphenyl)methanol
SMILESCSc1ccc(C(O)c2ccc(F)cc2)cc1
InChIInChI=1S/C14H13FOS/c1-17-13-8-4-11(5-9-13)14(16)10-2-6-12(15)7-3-10/h2-9,14,16H,1H3
InChIKeyLDKVLIOZSUOIRZ-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(4-methylsulfanylphenyl)methanol?
The IUPAC name of (4-fluorophenyl)-(4-methylsulfanylphenyl)methanol (CID 2759039) is (4-fluorophenyl)-(4-methylsulfanylphenyl)methanol.
What is the SMILES notation for (4-fluorophenyl)-(4-methylsulfanylphenyl)methanol?
The canonical SMILES for (4-fluorophenyl)-(4-methylsulfanylphenyl)methanol is CSc1ccc(C(O)c2ccc(F)cc2)cc1.
What is the InChIKey of (4-fluorophenyl)-(4-methylsulfanylphenyl)methanol?
The InChIKey is LDKVLIOZSUOIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FOS/c1-17-13-8-4-11(5-9-13)14(16)10-2-6-12(15)7-3-10/h2-9,14,16H,1H3.
What are the key properties of (4-fluorophenyl)-(4-methylsulfanylphenyl)methanol?
(4-fluorophenyl)-(4-methylsulfanylphenyl)methanol has a molecular weight of 248.32 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(4-methylsulfanylphenyl)methanol is sourced from PubChem (CID 2759039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).