2-fluoro-4-methyl-5-phenylthiophen-3-ol

C11H9FOS — CID 70965990

IUPAC2-fluoro-4-methyl-5-phenylthiophen-3-ol
SMILESCc1c(-c2ccccc2)sc(F)c1O
InChIInChI=1S/C11H9FOS/c1-7-9(13)11(12)14-10(7)8-5-3-2-4-6-8/h2-6,13H,1H3
InChIKeyQYLFAWWEJGNZDQ-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.57
Rot. Bonds1

About 2-fluoro-4-methyl-5-phenylthiophen-3-ol

2-fluoro-4-methyl-5-phenylthiophen-3-ol (PubChem CID 70965990) has the molecular formula C11H9FOS and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-fluoro-4-methyl-5-phenylthiophen-3-ol.

Molecular Properties

Compound Name2-fluoro-4-methyl-5-phenylthiophen-3-ol
PubChem CID70965990
Molecular FormulaC11H9FOS
Molecular Weight208.26 g/mol
Exact Mass208.04
IUPAC Name2-fluoro-4-methyl-5-phenylthiophen-3-ol
SMILESCc1c(-c2ccccc2)sc(F)c1O
InChIInChI=1S/C11H9FOS/c1-7-9(13)11(12)14-10(7)8-5-3-2-4-6-8/h2-6,13H,1H3
InChIKeyQYLFAWWEJGNZDQ-UHFFFAOYSA-N
XLogP3.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-5-phenylthiophen-3-ol?
The IUPAC name of 2-fluoro-4-methyl-5-phenylthiophen-3-ol (CID 70965990) is 2-fluoro-4-methyl-5-phenylthiophen-3-ol.
What is the SMILES notation for 2-fluoro-4-methyl-5-phenylthiophen-3-ol?
The canonical SMILES for 2-fluoro-4-methyl-5-phenylthiophen-3-ol is Cc1c(-c2ccccc2)sc(F)c1O.
What is the InChIKey of 2-fluoro-4-methyl-5-phenylthiophen-3-ol?
The InChIKey is QYLFAWWEJGNZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FOS/c1-7-9(13)11(12)14-10(7)8-5-3-2-4-6-8/h2-6,13H,1H3.
What are the key properties of 2-fluoro-4-methyl-5-phenylthiophen-3-ol?
2-fluoro-4-methyl-5-phenylthiophen-3-ol has a molecular weight of 208.26 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-5-phenylthiophen-3-ol is sourced from PubChem (CID 70965990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).