1-(4,5-dimethylthiophen-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol

C15H15F3O2S — CID 115787194

IUPAC1-(4,5-dimethylthiophen-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol
SMILESCc1cc(C(O)Cc2ccc(OC(F)(F)F)cc2)sc1C
InChIInChI=1S/C15H15F3O2S/c1-9-7-14(21-10(9)2)13(19)8-11-3-5-12(6-4-11)20-15(16,17)18/h3-7,13,19H,8H2,1-2H3
InChIKeyQEXZRQNAYDCPKQ-UHFFFAOYSA-N
MW316.34 g/mol
LogP4.54
Rot. Bonds4

About 1-(4,5-dimethylthiophen-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol

1-(4,5-dimethylthiophen-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol (PubChem CID 115787194) has the molecular formula C15H15F3O2S and a molecular weight of 316.34 g/mol. Its IUPAC name is 1-(4,5-dimethylthiophen-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-(4,5-dimethylthiophen-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol
PubChem CID115787194
Molecular FormulaC15H15F3O2S
Molecular Weight316.34 g/mol
Exact Mass316.07
IUPAC Name1-(4,5-dimethylthiophen-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol
SMILESCc1cc(C(O)Cc2ccc(OC(F)(F)F)cc2)sc1C
InChIInChI=1S/C15H15F3O2S/c1-9-7-14(21-10(9)2)13(19)8-11-3-5-12(6-4-11)20-15(16,17)18/h3-7,13,19H,8H2,1-2H3
InChIKeyQEXZRQNAYDCPKQ-UHFFFAOYSA-N
XLogP4.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,5-dimethylthiophen-2-yl)-2-(4-methoxyphenyl)ethanol
CID 65238266
4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-ol
CID 62606117
1-(4,5-dimethylthiophen-2-yl)-4,4,4-trifluorobutan-1-ol
CID 115808765
1-(3-aminophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 106695922
1-(4,5-dimethylthiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol
CID 66459897
3-propyl-1-[4-(trifluoromethoxy)phenyl]hexan-2-ol
CID 115787256
1-(3-bromophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 62606496
2-amino-3-[4-(trifluoromethoxy)phenyl]propan-1-ol
CID 64573058
[1-(3-methylthiophen-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105296937
5-methoxy-1-[4-(trifluoromethoxy)phenyl]hexan-2-ol
CID 105088105
1-(3-bromo-2-methylpropyl)-4-(trifluoromethoxy)benzene
CID 66048084
dimethyl (2S,3R)-2-hydroxy-3-[[4-(trifluoromethoxy)phenyl]methyl]butanedioate
CID 59432804

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylthiophen-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol?
The IUPAC name of 1-(4,5-dimethylthiophen-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol (CID 115787194) is 1-(4,5-dimethylthiophen-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol.
What is the SMILES notation for 1-(4,5-dimethylthiophen-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol?
The canonical SMILES for 1-(4,5-dimethylthiophen-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol is Cc1cc(C(O)Cc2ccc(OC(F)(F)F)cc2)sc1C.
What is the InChIKey of 1-(4,5-dimethylthiophen-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol?
The InChIKey is QEXZRQNAYDCPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3O2S/c1-9-7-14(21-10(9)2)13(19)8-11-3-5-12(6-4-11)20-15(16,17)18/h3-7,13,19H,8H2,1-2H3.
What are the key properties of 1-(4,5-dimethylthiophen-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol?
1-(4,5-dimethylthiophen-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol has a molecular weight of 316.34 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylthiophen-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol is sourced from PubChem (CID 115787194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).