1-(2,4-difluoro-5-methylphenyl)-2-thiophen-3-ylethanol

C13H12F2OS — CID 113396557

IUPAC1-(2,4-difluoro-5-methylphenyl)-2-thiophen-3-ylethanol
SMILESCc1cc(C(O)Cc2ccsc2)c(F)cc1F
InChIInChI=1S/C13H12F2OS/c1-8-4-10(12(15)6-11(8)14)13(16)5-9-2-3-17-7-9/h2-4,6-7,13,16H,5H2,1H3
InChIKeyHWIMASOCBBWWFW-UHFFFAOYSA-N
MW254.30 g/mol
LogP3.61
Rot. Bonds3

About 1-(2,4-difluoro-5-methylphenyl)-2-thiophen-3-ylethanol

1-(2,4-difluoro-5-methylphenyl)-2-thiophen-3-ylethanol (PubChem CID 113396557) has the molecular formula C13H12F2OS and a molecular weight of 254.30 g/mol. Its IUPAC name is 1-(2,4-difluoro-5-methylphenyl)-2-thiophen-3-ylethanol.

Molecular Properties

Compound Name1-(2,4-difluoro-5-methylphenyl)-2-thiophen-3-ylethanol
PubChem CID113396557
Molecular FormulaC13H12F2OS
Molecular Weight254.30 g/mol
Exact Mass254.06
IUPAC Name1-(2,4-difluoro-5-methylphenyl)-2-thiophen-3-ylethanol
SMILESCc1cc(C(O)Cc2ccsc2)c(F)cc1F
InChIInChI=1S/C13H12F2OS/c1-8-4-10(12(15)6-11(8)14)13(16)5-9-2-3-17-7-9/h2-4,6-7,13,16H,5H2,1H3
InChIKeyHWIMASOCBBWWFW-UHFFFAOYSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluoro-5-methylphenyl)-2-phenylethanol
CID 79731266
1-(4-bromo-2-methylphenyl)-2-thiophen-3-ylethanol
CID 63016718
(1S)-1-(2,4-difluoro-5-methylphenyl)propan-1-ol
CID 82759417
1-(2,4-difluoro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 115781937
1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-3-ylethanol
CID 105089473
2-(4-bromo-2-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)ethanol
CID 115788462
2-(3-bromo-4-methoxyphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanol
CID 115779414
1-(2,4-difluoro-5-methylphenyl)-3-thiophen-3-ylpropan-1-one
CID 114972180
1-(3-bromo-4-fluorophenyl)-2-thiophen-3-ylethanol
CID 65148445
1-(3-chloro-4-fluorophenyl)-2-thiophen-3-ylethanol
CID 63094329
1-(4-bromo-3-methylphenyl)-2-thiophen-3-ylethanol
CID 81446687
1-(5-methylfuran-3-yl)-2-thiophen-3-ylethanol
CID 114822893

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluoro-5-methylphenyl)-2-thiophen-3-ylethanol?
The IUPAC name of 1-(2,4-difluoro-5-methylphenyl)-2-thiophen-3-ylethanol (CID 113396557) is 1-(2,4-difluoro-5-methylphenyl)-2-thiophen-3-ylethanol.
What is the SMILES notation for 1-(2,4-difluoro-5-methylphenyl)-2-thiophen-3-ylethanol?
The canonical SMILES for 1-(2,4-difluoro-5-methylphenyl)-2-thiophen-3-ylethanol is Cc1cc(C(O)Cc2ccsc2)c(F)cc1F.
What is the InChIKey of 1-(2,4-difluoro-5-methylphenyl)-2-thiophen-3-ylethanol?
The InChIKey is HWIMASOCBBWWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2OS/c1-8-4-10(12(15)6-11(8)14)13(16)5-9-2-3-17-7-9/h2-4,6-7,13,16H,5H2,1H3.
What are the key properties of 1-(2,4-difluoro-5-methylphenyl)-2-thiophen-3-ylethanol?
1-(2,4-difluoro-5-methylphenyl)-2-thiophen-3-ylethanol has a molecular weight of 254.30 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluoro-5-methylphenyl)-2-thiophen-3-ylethanol is sourced from PubChem (CID 113396557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).