1-(3-chloro-4-methylthiophen-2-yl)-2-(2,4-difluorophenyl)ethanol

C13H11ClF2OS — CID 103405659

IUPAC1-(3-chloro-4-methylthiophen-2-yl)-2-(2,4-difluorophenyl)ethanol
SMILESCc1csc(C(O)Cc2ccc(F)cc2F)c1Cl
InChIInChI=1S/C13H11ClF2OS/c1-7-6-18-13(12(7)14)11(17)4-8-2-3-9(15)5-10(8)16/h2-3,5-6,11,17H,4H2,1H3
InChIKeyFSMATHBHXJYTJV-UHFFFAOYSA-N
MW288.75 g/mol
LogP4.26
Rot. Bonds3

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

1-(3-chloro-4-methylthiophen-2-yl)-2-(2,4-difluorophenyl)ethanol (PubChem CID 103405659) has the molecular formula C13H11ClF2OS and a molecular weight of 288.75 g/mol. Its IUPAC name is 1-(3-chloro-4-methylthiophen-2-yl)-2-(2,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name1-(3-chloro-4-methylthiophen-2-yl)-2-(2,4-difluorophenyl)ethanol
PubChem CID103405659
Molecular FormulaC13H11ClF2OS
Molecular Weight288.75 g/mol
Exact Mass288.02
IUPAC Name1-(3-chloro-4-methylthiophen-2-yl)-2-(2,4-difluorophenyl)ethanol
SMILESCc1csc(C(O)Cc2ccc(F)cc2F)c1Cl
InChIInChI=1S/C13H11ClF2OS/c1-7-6-18-13(12(7)14)11(17)4-8-2-3-9(15)5-10(8)16/h2-3,5-6,11,17H,4H2,1H3
InChIKeyFSMATHBHXJYTJV-UHFFFAOYSA-N
XLogP4.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.75
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-difluorophenyl)-1-(4-fluoro-2,6-dimethylphenyl)ethanol
CID 106879490
1-(3-chlorothiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 115838295
2-(4-bromothiophen-2-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol
CID 103407934
(1S)-2-amino-1-(3-chloro-4-methylthiophen-2-yl)ethanol
CID 69219309
1-(3-chlorothiophen-2-yl)-2-(2,5-difluorophenyl)ethanol
CID 114982062
2-(4-chloro-2-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 105132939
2-(2-chloro-4-methylphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanamine
CID 106867685
1-(3-chloro-4-methylthiophen-2-yl)-3-methylbutan-1-ol
CID 103407802
2-(4-chloro-2-fluorophenyl)-1-(2,5-difluorophenyl)ethanol
CID 114852109
1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372816
1-(2,4-difluorophenyl)butan-2-ol
CID 23056492
3-chloro-2-[1-chloro-2-(2,4-difluorophenyl)ethyl]thiophene
CID 80530624

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-2-(2,4-difluorophenyl)ethanol?
The IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-2-(2,4-difluorophenyl)ethanol (CID 103405659) is 1-(3-chloro-4-methylthiophen-2-yl)-2-(2,4-difluorophenyl)ethanol.
What is the SMILES notation for 1-(3-chloro-4-methylthiophen-2-yl)-2-(2,4-difluorophenyl)ethanol?
The canonical SMILES for 1-(3-chloro-4-methylthiophen-2-yl)-2-(2,4-difluorophenyl)ethanol is Cc1csc(C(O)Cc2ccc(F)cc2F)c1Cl.
What is the InChIKey of 1-(3-chloro-4-methylthiophen-2-yl)-2-(2,4-difluorophenyl)ethanol?
The InChIKey is FSMATHBHXJYTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2OS/c1-7-6-18-13(12(7)14)11(17)4-8-2-3-9(15)5-10(8)16/h2-3,5-6,11,17H,4H2,1H3.
What are the key properties of 1-(3-chloro-4-methylthiophen-2-yl)-2-(2,4-difluorophenyl)ethanol?
1-(3-chloro-4-methylthiophen-2-yl)-2-(2,4-difluorophenyl)ethanol has a molecular weight of 288.75 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylthiophen-2-yl)-2-(2,4-difluorophenyl)ethanol is sourced from PubChem (CID 103405659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).