(3-fluorophenyl)-[2-(4-methylthiophen-2-yl)phenyl]methanol

C18H15FOS — CID 22631425

IUPAC(3-fluorophenyl)-[2-(4-methylthiophen-2-yl)phenyl]methanol
SMILESCc1csc(-c2ccccc2C(O)c2cccc(F)c2)c1
InChIInChI=1S/C18H15FOS/c1-12-9-17(21-11-12)15-7-2-3-8-16(15)18(20)13-5-4-6-14(19)10-13/h2-11,18,20H,1H3
InChIKeyYOFVYSOCHBULEZ-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.94
Rot. Bonds3

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

(3-fluorophenyl)-[2-(4-methylthiophen-2-yl)phenyl]methanol (PubChem CID 22631425) has the molecular formula C18H15FOS and a molecular weight of 298.38 g/mol. Its IUPAC name is (3-fluorophenyl)-[2-(4-methylthiophen-2-yl)phenyl]methanol.

Molecular Properties

Compound Name(3-fluorophenyl)-[2-(4-methylthiophen-2-yl)phenyl]methanol
PubChem CID22631425
Molecular FormulaC18H15FOS
Molecular Weight298.38 g/mol
Exact Mass298.08
IUPAC Name(3-fluorophenyl)-[2-(4-methylthiophen-2-yl)phenyl]methanol
SMILESCc1csc(-c2ccccc2C(O)c2cccc(F)c2)c1
InChIInChI=1S/C18H15FOS/c1-12-9-17(21-11-12)15-7-2-3-8-16(15)18(20)13-5-4-6-14(19)10-13/h2-11,18,20H,1H3
InChIKeyYOFVYSOCHBULEZ-UHFFFAOYSA-N
XLogP4.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.94
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-methylthiophen-2-yl)phenyl]methanol?
The IUPAC name of (3-fluorophenyl)-[2-(4-methylthiophen-2-yl)phenyl]methanol (CID 22631425) is (3-fluorophenyl)-[2-(4-methylthiophen-2-yl)phenyl]methanol.
What is the SMILES notation for (3-fluorophenyl)-[2-(4-methylthiophen-2-yl)phenyl]methanol?
The canonical SMILES for (3-fluorophenyl)-[2-(4-methylthiophen-2-yl)phenyl]methanol is Cc1csc(-c2ccccc2C(O)c2cccc(F)c2)c1.
What is the InChIKey of (3-fluorophenyl)-[2-(4-methylthiophen-2-yl)phenyl]methanol?
The InChIKey is YOFVYSOCHBULEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FOS/c1-12-9-17(21-11-12)15-7-2-3-8-16(15)18(20)13-5-4-6-14(19)10-13/h2-11,18,20H,1H3.
What are the key properties of (3-fluorophenyl)-[2-(4-methylthiophen-2-yl)phenyl]methanol?
(3-fluorophenyl)-[2-(4-methylthiophen-2-yl)phenyl]methanol has a molecular weight of 298.38 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[2-(4-methylthiophen-2-yl)phenyl]methanol is sourced from PubChem (CID 22631425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).