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

C13H13FOS — CID 81477466

IUPAC1-(2-fluoro-3-methylphenyl)-2-thiophen-2-ylethanol
SMILESCc1cccc(C(O)Cc2cccs2)c1F
InChIInChI=1S/C13H13FOS/c1-9-4-2-6-11(13(9)14)12(15)8-10-5-3-7-16-10/h2-7,12,15H,8H2,1H3
InChIKeyPRCUFFMYXKRLAV-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.47
Rot. Bonds3

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

1-(2-fluoro-3-methylphenyl)-2-thiophen-2-ylethanol (PubChem CID 81477466) has the molecular formula C13H13FOS and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(2-fluoro-3-methylphenyl)-2-thiophen-2-ylethanol.

Molecular Properties

Compound Name1-(2-fluoro-3-methylphenyl)-2-thiophen-2-ylethanol
PubChem CID81477466
Molecular FormulaC13H13FOS
Molecular Weight236.31 g/mol
Exact Mass236.07
IUPAC Name1-(2-fluoro-3-methylphenyl)-2-thiophen-2-ylethanol
SMILESCc1cccc(C(O)Cc2cccs2)c1F
InChIInChI=1S/C13H13FOS/c1-9-4-2-6-11(13(9)14)12(15)8-10-5-3-7-16-10/h2-7,12,15H,8H2,1H3
InChIKeyPRCUFFMYXKRLAV-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

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Related Compounds

1-(3-chloro-2-fluorophenyl)-2-thiophen-2-ylethanol
CID 64713103
1-(2-fluorophenyl)-2-thiophen-2-ylethanol
CID 62501519
1-(2-fluoro-3-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine
CID 81477797
(2-fluoro-3-methylphenyl)-thiophen-2-ylmethanol
CID 81477693
1-(4-fluoro-3-methylphenyl)-2-thiophen-2-ylethanol
CID 62607449
1-(2-fluoro-3-methylphenyl)propan-1-ol
CID 115787793
1-(2-fluoro-3-methylphenyl)-2-(furan-2-yl)ethanol
CID 115830188
1-(2,5-difluorophenyl)-2-thiophen-2-ylethanol
CID 62802428
[1-(2,3-dimethylphenyl)-2-thiophen-2-ylethyl]hydrazine
CID 105211766
1-(3,5-difluorophenyl)-2-thiophen-2-ylethanol
CID 62608803
1-(1,3-dimethylpyrazol-4-yl)-2-thiophen-2-ylethanol
CID 83091790
2-thiophen-2-yl-1-(2,4,6-trifluorophenyl)ethanol
CID 65100301

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methylphenyl)-2-thiophen-2-ylethanol?
The IUPAC name of 1-(2-fluoro-3-methylphenyl)-2-thiophen-2-ylethanol (CID 81477466) is 1-(2-fluoro-3-methylphenyl)-2-thiophen-2-ylethanol.
What is the SMILES notation for 1-(2-fluoro-3-methylphenyl)-2-thiophen-2-ylethanol?
The canonical SMILES for 1-(2-fluoro-3-methylphenyl)-2-thiophen-2-ylethanol is Cc1cccc(C(O)Cc2cccs2)c1F.
What is the InChIKey of 1-(2-fluoro-3-methylphenyl)-2-thiophen-2-ylethanol?
The InChIKey is PRCUFFMYXKRLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FOS/c1-9-4-2-6-11(13(9)14)12(15)8-10-5-3-7-16-10/h2-7,12,15H,8H2,1H3.
What are the key properties of 1-(2-fluoro-3-methylphenyl)-2-thiophen-2-ylethanol?
1-(2-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-(2-fluoro-3-methylphenyl)-2-thiophen-2-ylethanol is sourced from PubChem (CID 81477466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).