1-(2-methylthiophen-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol

C14H13F3OS — CID 102842312

IUPAC1-(2-methylthiophen-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
SMILESCc1sccc1C(O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H13F3OS/c1-9-12(6-7-19-9)13(18)8-10-2-4-11(5-3-10)14(15,16)17/h2-7,13,18H,8H2,1H3
InChIKeyKMQMKJAGSCWTTL-UHFFFAOYSA-N
MW286.32 g/mol
LogP4.35
Rot. Bonds3

About 1-(2-methylthiophen-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol

1-(2-methylthiophen-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 102842312) has the molecular formula C14H13F3OS and a molecular weight of 286.32 g/mol. Its IUPAC name is 1-(2-methylthiophen-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name1-(2-methylthiophen-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID102842312
Molecular FormulaC14H13F3OS
Molecular Weight286.32 g/mol
Exact Mass286.06
IUPAC Name1-(2-methylthiophen-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
SMILESCc1sccc1C(O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H13F3OS/c1-9-12(6-7-19-9)13(18)8-10-2-4-11(5-3-10)14(15,16)17/h2-7,13,18H,8H2,1H3
InChIKeyKMQMKJAGSCWTTL-UHFFFAOYSA-N
XLogP4.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methylthiophen-3-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 102840771
1-(4-bromo-5-methylthiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 102829532
3-(4-methylphenyl)-1-(2-methylthiophen-3-yl)propan-1-ol
CID 102842310
2-(2-methyl-1,3-thiazol-4-yl)-1-(2-methylthiophen-3-yl)ethanol
CID 102831271
1-(6-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 63555423
1-(2-amino-5-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 82683165
1-thiophen-3-yl-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 115788878
1-(2-ethyl-5-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 105091094
1-(3-methyltriazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 115836029
1-(3-bromo-4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 81476241
1-methoxy-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 62606366
1-(2-methylthiophen-3-yl)-2-propan-2-yloxyethanol
CID 102842375

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylthiophen-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 1-(2-methylthiophen-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol (CID 102842312) is 1-(2-methylthiophen-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 1-(2-methylthiophen-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 1-(2-methylthiophen-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol is Cc1sccc1C(O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(2-methylthiophen-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is KMQMKJAGSCWTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3OS/c1-9-12(6-7-19-9)13(18)8-10-2-4-11(5-3-10)14(15,16)17/h2-7,13,18H,8H2,1H3.
What are the key properties of 1-(2-methylthiophen-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol?
1-(2-methylthiophen-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 286.32 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylthiophen-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 102842312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).