[3-(4-fluorophenyl)-5-methylthiophen-2-yl]methanol

C12H11FOS — CID 19802554

IUPAC[3-(4-fluorophenyl)-5-methylthiophen-2-yl]methanol
SMILESCc1cc(-c2ccc(F)cc2)c(CO)s1
InChIInChI=1S/C12H11FOS/c1-8-6-11(12(7-14)15-8)9-2-4-10(13)5-3-9/h2-6,14H,7H2,1H3
InChIKeyCANVKBMNAUYZAJ-UHFFFAOYSA-N
MW222.28 g/mol
LogP3.35
Rot. Bonds2

About [3-(4-fluorophenyl)-5-methylthiophen-2-yl]methanol

[3-(4-fluorophenyl)-5-methylthiophen-2-yl]methanol (PubChem CID 19802554) has the molecular formula C12H11FOS and a molecular weight of 222.28 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-5-methylthiophen-2-yl]methanol.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-5-methylthiophen-2-yl]methanol
PubChem CID19802554
Molecular FormulaC12H11FOS
Molecular Weight222.28 g/mol
Exact Mass222.05
IUPAC Name[3-(4-fluorophenyl)-5-methylthiophen-2-yl]methanol
SMILESCc1cc(-c2ccc(F)cc2)c(CO)s1
InChIInChI=1S/C12H11FOS/c1-8-6-11(12(7-14)15-8)9-2-4-10(13)5-3-9/h2-6,14H,7H2,1H3
InChIKeyCANVKBMNAUYZAJ-UHFFFAOYSA-N
XLogP3.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-5-methylthiophen-2-yl]methanol?
The IUPAC name of [3-(4-fluorophenyl)-5-methylthiophen-2-yl]methanol (CID 19802554) is [3-(4-fluorophenyl)-5-methylthiophen-2-yl]methanol.
What is the SMILES notation for [3-(4-fluorophenyl)-5-methylthiophen-2-yl]methanol?
The canonical SMILES for [3-(4-fluorophenyl)-5-methylthiophen-2-yl]methanol is Cc1cc(-c2ccc(F)cc2)c(CO)s1.
What is the InChIKey of [3-(4-fluorophenyl)-5-methylthiophen-2-yl]methanol?
The InChIKey is CANVKBMNAUYZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FOS/c1-8-6-11(12(7-14)15-8)9-2-4-10(13)5-3-9/h2-6,14H,7H2,1H3.
What are the key properties of [3-(4-fluorophenyl)-5-methylthiophen-2-yl]methanol?
[3-(4-fluorophenyl)-5-methylthiophen-2-yl]methanol has a molecular weight of 222.28 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-5-methylthiophen-2-yl]methanol is sourced from PubChem (CID 19802554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).