1-(3-fluoro-4-methoxyphenyl)-1-(5-methylthiophen-2-yl)ethanol

C14H15FO2S — CID 114910653

IUPAC1-(3-fluoro-4-methoxyphenyl)-1-(5-methylthiophen-2-yl)ethanol
SMILESCOc1ccc(C(C)(O)c2ccc(C)s2)cc1F
InChIInChI=1S/C14H15FO2S/c1-9-4-7-13(18-9)14(2,16)10-5-6-12(17-3)11(15)8-10/h4-8,16H,1-3H3
InChIKeyFZZLBSLUOCPTEL-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.46
Rot. Bonds3

About 1-(3-fluoro-4-methoxyphenyl)-1-(5-methylthiophen-2-yl)ethanol

1-(3-fluoro-4-methoxyphenyl)-1-(5-methylthiophen-2-yl)ethanol (PubChem CID 114910653) has the molecular formula C14H15FO2S and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-1-(5-methylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-1-(5-methylthiophen-2-yl)ethanol
PubChem CID114910653
Molecular FormulaC14H15FO2S
Molecular Weight266.34 g/mol
Exact Mass266.08
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-1-(5-methylthiophen-2-yl)ethanol
SMILESCOc1ccc(C(C)(O)c2ccc(C)s2)cc1F
InChIInChI=1S/C14H15FO2S/c1-9-4-7-13(18-9)14(2,16)10-5-6-12(17-3)11(15)8-10/h4-8,16H,1-3H3
InChIKeyFZZLBSLUOCPTEL-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

methyl 2-(3-fluoro-4-methoxyphenyl)-2-hydroxypropanoate
CID 62214650
2-(3-fluoro-4-methoxyphenyl)-2-methylpropanenitrile
CID 82075819
ethyl 3-amino-3-(3-fluoro-4-methoxyphenyl)butanoate
CID 79849313
2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 65146874
1-cyclobutyl-2-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 113490170
3-amino-1,1,1-trifluoro-2-(3-fluoro-4-methoxyphenyl)butan-2-ol
CID 63082229
2-(3-fluoro-4-methoxyphenyl)-1-(3-fluorophenyl)propan-2-ol
CID 114833315
2-(4-ethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 65147032
1-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)ethanol
CID 62787268
2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)propan-2-amine
CID 63273344
1-(2,4-dichloro-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 62794899
2-(3-fluoro-4-methoxyphenyl)-2-(propan-2-ylamino)propanamide
CID 60788030

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-1-(5-methylthiophen-2-yl)ethanol?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-1-(5-methylthiophen-2-yl)ethanol (CID 114910653) is 1-(3-fluoro-4-methoxyphenyl)-1-(5-methylthiophen-2-yl)ethanol.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-1-(5-methylthiophen-2-yl)ethanol?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-1-(5-methylthiophen-2-yl)ethanol is COc1ccc(C(C)(O)c2ccc(C)s2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-1-(5-methylthiophen-2-yl)ethanol?
The InChIKey is FZZLBSLUOCPTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FO2S/c1-9-4-7-13(18-9)14(2,16)10-5-6-12(17-3)11(15)8-10/h4-8,16H,1-3H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-1-(5-methylthiophen-2-yl)ethanol?
1-(3-fluoro-4-methoxyphenyl)-1-(5-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-(3-fluoro-4-methoxyphenyl)-1-(5-methylthiophen-2-yl)ethanol is sourced from PubChem (CID 114910653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).