1-(4-fluoro-3-methylphenyl)-2-thiophen-2-ylethanol

C13H13FOS — CID 62607449

IUPAC1-(4-fluoro-3-methylphenyl)-2-thiophen-2-ylethanol
SMILESCc1cc(C(O)Cc2cccs2)ccc1F
InChIInChI=1S/C13H13FOS/c1-9-7-10(4-5-12(9)14)13(15)8-11-3-2-6-16-11/h2-7,13,15H,8H2,1H3
InChIKeyTXUYBNYFQCIQNT-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.47
Rot. Bonds3

About 1-(4-fluoro-3-methylphenyl)-2-thiophen-2-ylethanol

1-(4-fluoro-3-methylphenyl)-2-thiophen-2-ylethanol (PubChem CID 62607449) has the molecular formula C13H13FOS and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-2-thiophen-2-ylethanol.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-2-thiophen-2-ylethanol
PubChem CID62607449
Molecular FormulaC13H13FOS
Molecular Weight236.31 g/mol
Exact Mass236.07
IUPAC Name1-(4-fluoro-3-methylphenyl)-2-thiophen-2-ylethanol
SMILESCc1cc(C(O)Cc2cccs2)ccc1F
InChIInChI=1S/C13H13FOS/c1-9-7-10(4-5-12(9)14)13(15)8-11-3-2-6-16-11/h2-7,13,15H,8H2,1H3
InChIKeyTXUYBNYFQCIQNT-UHFFFAOYSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-fluoro-3-methylphenyl)-2-thiophen-2-ylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,5-difluorophenyl)-2-thiophen-2-ylethanol
CID 62608803
1-(2,6-dimethyl-4-pyridinyl)-2-thiophen-2-ylethanol
CID 107502914
1-(3,4-dimethoxyphenyl)-2-thiophen-2-ylethanol
CID 55136258
1-(3,4-difluorophenyl)-2-(1-thiophen-2-ylpropan-2-ylamino)ethanol
CID 63292341
1-(2-fluoro-3-methylphenyl)-2-thiophen-2-ylethanol
CID 81477466
1-(2,5-difluorophenyl)-2-thiophen-2-ylethanol
CID 62802428
1-(4-fluoro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 63410710
2-thiophen-2-yl-1-(2,4,6-trifluorophenyl)ethanol
CID 65100301
1-(3-aminophenyl)-2-thiophen-2-ylethanol
CID 106695892
1-(6-methyl-3-pyridinyl)-2-thiophen-2-ylethanol
CID 63155413
1-(4-methoxyphenyl)-2-thiophen-2-ylethanol
CID 62501005
(1R)-2-chloro-1-(4-fluoro-3-methylphenyl)ethanol
CID 93182268

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-2-thiophen-2-ylethanol?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-2-thiophen-2-ylethanol (CID 62607449) is 1-(4-fluoro-3-methylphenyl)-2-thiophen-2-ylethanol.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-2-thiophen-2-ylethanol?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-2-thiophen-2-ylethanol is Cc1cc(C(O)Cc2cccs2)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-2-thiophen-2-ylethanol?
The InChIKey is TXUYBNYFQCIQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FOS/c1-9-7-10(4-5-12(9)14)13(15)8-11-3-2-6-16-11/h2-7,13,15H,8H2,1H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-2-thiophen-2-ylethanol?
1-(4-fluoro-3-methylphenyl)-2-thiophen-2-ylethanol has a molecular weight of 236.31 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-2-thiophen-2-ylethanol is sourced from PubChem (CID 62607449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).