1-(2-fluoro-3-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol

C14H15FO2S — CID 82805823

IUPAC1-(2-fluoro-3-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol
SMILESCOc1cccc(C(C)(O)c2sccc2C)c1F
InChIInChI=1S/C14H15FO2S/c1-9-7-8-18-13(9)14(2,16)10-5-4-6-11(17-3)12(10)15/h4-8,16H,1-3H3
InChIKeyVPDTZPHDKZUTQK-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.46
Rot. Bonds3

About 1-(2-fluoro-3-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol

1-(2-fluoro-3-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol (PubChem CID 82805823) has the molecular formula C14H15FO2S and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol
PubChem CID82805823
Molecular FormulaC14H15FO2S
Molecular Weight266.34 g/mol
Exact Mass266.08
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol
SMILESCOc1cccc(C(C)(O)c2sccc2C)c1F
InChIInChI=1S/C14H15FO2S/c1-9-7-8-18-13(9)14(2,16)10-5-4-6-11(17-3)12(10)15/h4-8,16H,1-3H3
InChIKeyVPDTZPHDKZUTQK-UHFFFAOYSA-N
XLogP3.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-methylphenyl)-1-(3-methylthiophen-2-yl)ethanol
CID 63991310
1-(2-fluoro-3-methoxyphenyl)-1-(3-methylphenyl)ethanol
CID 82806005
1-(2,5-dimethylphenyl)-1-(3-methylthiophen-2-yl)ethanol
CID 63990708
2-(2-fluoro-3-methoxyphenyl)-2-hydroxypropanal
CID 82805418
1-(2-fluoro-3-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 83125403
1-(3-bromophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanol
CID 82805505
2-[1-hydroxy-1-(2-methoxyphenyl)ethyl]thiophene-3-carboxylic acid
CID 107431992
2-fluoro-1-methoxy-3-(trifluoromethyl)benzene
CID 2774768
1-(5-bromo-2-fluorophenyl)-1-(3-methylthiophen-2-yl)ethanol
CID 79742355
1-(3-methylthiophen-2-yl)-1-phenylethanol
CID 63991510
1-(4-bromo-2-chlorophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanol
CID 82808045
1-(3-fluoro-4-methoxyphenyl)-2-(3-methylthiophen-2-yl)propan-2-ol
CID 65149465

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol (CID 82805823) is 1-(2-fluoro-3-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol is COc1cccc(C(C)(O)c2sccc2C)c1F.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol?
The InChIKey is VPDTZPHDKZUTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FO2S/c1-9-7-8-18-13(9)14(2,16)10-5-4-6-11(17-3)12(10)15/h4-8,16H,1-3H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol?
1-(2-fluoro-3-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol has a molecular weight of 266.34 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol is sourced from PubChem (CID 82805823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).