2-(3,4-difluorophenyl)-1-(4-methoxythiophen-2-yl)ethanol

C13H12F2O2S — CID 81129056

IUPAC2-(3,4-difluorophenyl)-1-(4-methoxythiophen-2-yl)ethanol
SMILESCOc1csc(C(O)Cc2ccc(F)c(F)c2)c1
InChIInChI=1S/C13H12F2O2S/c1-17-9-6-13(18-7-9)12(16)5-8-2-3-10(14)11(15)4-8/h2-4,6-7,12,16H,5H2,1H3
InChIKeyJXMRTKSQWUSKAD-UHFFFAOYSA-N
MW270.30 g/mol
LogP3.31
Rot. Bonds4

About 2-(3,4-difluorophenyl)-1-(4-methoxythiophen-2-yl)ethanol

2-(3,4-difluorophenyl)-1-(4-methoxythiophen-2-yl)ethanol (PubChem CID 81129056) has the molecular formula C13H12F2O2S and a molecular weight of 270.30 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-1-(4-methoxythiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-1-(4-methoxythiophen-2-yl)ethanol
PubChem CID81129056
Molecular FormulaC13H12F2O2S
Molecular Weight270.30 g/mol
Exact Mass270.05
IUPAC Name2-(3,4-difluorophenyl)-1-(4-methoxythiophen-2-yl)ethanol
SMILESCOc1csc(C(O)Cc2ccc(F)c(F)c2)c1
InChIInChI=1S/C13H12F2O2S/c1-17-9-6-13(18-7-9)12(16)5-8-2-3-10(14)11(15)4-8/h2-4,6-7,12,16H,5H2,1H3
InChIKeyJXMRTKSQWUSKAD-UHFFFAOYSA-N
XLogP3.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-difluorophenyl)-1-(4-methoxythiophen-2-yl)ethanol
CID 81128653
2-(3,4-dichlorophenyl)-1-(4-methoxythiophen-2-yl)ethanol
CID 81129746
2-(4-tert-butylphenyl)-1-(4-methoxythiophen-2-yl)ethanol
CID 115786578
2-(furan-3-yl)-1-(4-methoxythiophen-2-yl)ethanol
CID 115830281
1-(4-methoxythiophen-2-yl)-2-thiophen-2-ylethanol
CID 81129052
2-(4-fluorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine
CID 81122347
(2-fluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanol
CID 115794422
2-[1-bromo-2-(3,4-dimethoxyphenyl)ethyl]-4-methoxythiophene
CID 81129544
(4-fluoronaphthalen-1-yl)-(4-methoxythiophen-2-yl)methanol
CID 81123747
3-(3,4-difluorophenyl)-1,1-dimethoxypropan-2-ol
CID 82919491
1-(4-methoxythiophen-2-yl)ethanol
CID 115840733
1-(3,4-difluorophenyl)-3-methoxy-4,4-dimethylpentan-2-ol
CID 116713006

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-1-(4-methoxythiophen-2-yl)ethanol?
The IUPAC name of 2-(3,4-difluorophenyl)-1-(4-methoxythiophen-2-yl)ethanol (CID 81129056) is 2-(3,4-difluorophenyl)-1-(4-methoxythiophen-2-yl)ethanol.
What is the SMILES notation for 2-(3,4-difluorophenyl)-1-(4-methoxythiophen-2-yl)ethanol?
The canonical SMILES for 2-(3,4-difluorophenyl)-1-(4-methoxythiophen-2-yl)ethanol is COc1csc(C(O)Cc2ccc(F)c(F)c2)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-1-(4-methoxythiophen-2-yl)ethanol?
The InChIKey is JXMRTKSQWUSKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2O2S/c1-17-9-6-13(18-7-9)12(16)5-8-2-3-10(14)11(15)4-8/h2-4,6-7,12,16H,5H2,1H3.
What are the key properties of 2-(3,4-difluorophenyl)-1-(4-methoxythiophen-2-yl)ethanol?
2-(3,4-difluorophenyl)-1-(4-methoxythiophen-2-yl)ethanol has a molecular weight of 270.30 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-1-(4-methoxythiophen-2-yl)ethanol is sourced from PubChem (CID 81129056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).