(3-fluorophenyl)-[2-(4-methylsulfanylphenyl)phenyl]methanol

C20H17FOS — CID 11416080

IUPAC(3-fluorophenyl)-[2-(4-methylsulfanylphenyl)phenyl]methanol
SMILESCSc1ccc(-c2ccccc2C(O)c2cccc(F)c2)cc1
InChIInChI=1S/C20H17FOS/c1-23-17-11-9-14(10-12-17)18-7-2-3-8-19(18)20(22)15-5-4-6-16(21)13-15/h2-13,20,22H,1H3
InChIKeyVFEICKNXWXQCOW-UHFFFAOYSA-N
MW324.42 g/mol
LogP5.30
Rot. Bonds4

About (3-fluorophenyl)-[2-(4-methylsulfanylphenyl)phenyl]methanol

(3-fluorophenyl)-[2-(4-methylsulfanylphenyl)phenyl]methanol (PubChem CID 11416080) has the molecular formula C20H17FOS and a molecular weight of 324.42 g/mol. Its IUPAC name is (3-fluorophenyl)-[2-(4-methylsulfanylphenyl)phenyl]methanol.

Molecular Properties

Compound Name(3-fluorophenyl)-[2-(4-methylsulfanylphenyl)phenyl]methanol
PubChem CID11416080
Molecular FormulaC20H17FOS
Molecular Weight324.42 g/mol
Exact Mass324.10
IUPAC Name(3-fluorophenyl)-[2-(4-methylsulfanylphenyl)phenyl]methanol
SMILESCSc1ccc(-c2ccccc2C(O)c2cccc(F)c2)cc1
InChIInChI=1S/C20H17FOS/c1-23-17-11-9-14(10-12-17)18-7-2-3-8-19(18)20(22)15-5-4-6-16(21)13-15/h2-13,20,22H,1H3
InChIKeyVFEICKNXWXQCOW-UHFFFAOYSA-N
XLogP5.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.42
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[2-(4-methylsulfanylphenyl)phenyl]methanol?
The IUPAC name of (3-fluorophenyl)-[2-(4-methylsulfanylphenyl)phenyl]methanol (CID 11416080) is (3-fluorophenyl)-[2-(4-methylsulfanylphenyl)phenyl]methanol.
What is the SMILES notation for (3-fluorophenyl)-[2-(4-methylsulfanylphenyl)phenyl]methanol?
The canonical SMILES for (3-fluorophenyl)-[2-(4-methylsulfanylphenyl)phenyl]methanol is CSc1ccc(-c2ccccc2C(O)c2cccc(F)c2)cc1.
What is the InChIKey of (3-fluorophenyl)-[2-(4-methylsulfanylphenyl)phenyl]methanol?
The InChIKey is VFEICKNXWXQCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FOS/c1-23-17-11-9-14(10-12-17)18-7-2-3-8-19(18)20(22)15-5-4-6-16(21)13-15/h2-13,20,22H,1H3.
What are the key properties of (3-fluorophenyl)-[2-(4-methylsulfanylphenyl)phenyl]methanol?
(3-fluorophenyl)-[2-(4-methylsulfanylphenyl)phenyl]methanol has a molecular weight of 324.42 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[2-(4-methylsulfanylphenyl)phenyl]methanol is sourced from PubChem (CID 11416080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).