2-(3-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanol

C13H13FOS — CID 61101540

IUPAC2-(3-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanol
SMILESCc1ccc(C(O)Cc2cccc(F)c2)s1
InChIInChI=1S/C13H13FOS/c1-9-5-6-13(16-9)12(15)8-10-3-2-4-11(14)7-10/h2-7,12,15H,8H2,1H3
InChIKeyIDORMBMRSWWOFJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.47
Rot. Bonds3

About 2-(3-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanol

2-(3-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanol (PubChem CID 61101540) has the molecular formula C13H13FOS and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanol
PubChem CID61101540
Molecular FormulaC13H13FOS
Molecular Weight236.31 g/mol
Exact Mass236.07
IUPAC Name2-(3-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanol
SMILESCc1ccc(C(O)Cc2cccc(F)c2)s1
InChIInChI=1S/C13H13FOS/c1-9-5-6-13(16-9)12(15)8-10-3-2-4-11(14)7-10/h2-7,12,15H,8H2,1H3
InChIKeyIDORMBMRSWWOFJ-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-(5-bromo-4-methylthiophen-2-yl)-2-(3-fluorophenyl)ethanol
CID 79996332
1-(5-bromo-4-chlorothiophen-2-yl)-2-(3-fluorophenyl)ethanol
CID 80532302
2-(3-fluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanol
CID 65152206
2-(4-bromo-2-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanol
CID 65148086
1-(5-chloro-1,3-thiazol-2-yl)-2-(3-fluorophenyl)ethanol
CID 107125030
(1S)-1,2-bis(3-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 94871358
2-[chloro-(3-fluorophenyl)methyl]-5-methylthiophene
CID 61082525
1-(2-chloro-4,5-dimethylphenyl)-2-(3-fluorophenyl)ethanol
CID 115484522
2-(3-fluorophenyl)-1-(2,4,5-trifluorophenyl)ethanol
CID 103303315
(2R)-1-(3-fluorophenyl)pentan-2-ol
CID 89187255
1-(3,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanol
CID 63016216
ethane;1-fluoro-3-(2-methylpropyl)benzene
CID 142079473

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanol?
The IUPAC name of 2-(3-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanol (CID 61101540) is 2-(3-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanol.
What is the SMILES notation for 2-(3-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanol?
The canonical SMILES for 2-(3-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanol is Cc1ccc(C(O)Cc2cccc(F)c2)s1.
What is the InChIKey of 2-(3-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanol?
The InChIKey is IDORMBMRSWWOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FOS/c1-9-5-6-13(16-9)12(15)8-10-3-2-4-11(14)7-10/h2-7,12,15H,8H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanol?
2-(3-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanol 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 2-(3-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanol is sourced from PubChem (CID 61101540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).