1-(5-methylthiophen-2-yl)-2-[2-(trifluoromethyl)phenoxy]ethanol

C14H13F3O2S — CID 117239992

IUPAC1-(5-methylthiophen-2-yl)-2-[2-(trifluoromethyl)phenoxy]ethanol
SMILESCc1ccc(C(O)COc2ccccc2C(F)(F)F)s1
InChIInChI=1S/C14H13F3O2S/c1-9-6-7-13(20-9)11(18)8-19-12-5-3-2-4-10(12)14(15,16)17/h2-7,11,18H,8H2,1H3
InChIKeyOYLVYMFSKXLBPF-UHFFFAOYSA-N
MW302.32 g/mol
LogP4.19
Rot. Bonds4

About 1-(5-methylthiophen-2-yl)-2-[2-(trifluoromethyl)phenoxy]ethanol

1-(5-methylthiophen-2-yl)-2-[2-(trifluoromethyl)phenoxy]ethanol (PubChem CID 117239992) has the molecular formula C14H13F3O2S and a molecular weight of 302.32 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)-2-[2-(trifluoromethyl)phenoxy]ethanol.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)-2-[2-(trifluoromethyl)phenoxy]ethanol
PubChem CID117239992
Molecular FormulaC14H13F3O2S
Molecular Weight302.32 g/mol
Exact Mass302.06
IUPAC Name1-(5-methylthiophen-2-yl)-2-[2-(trifluoromethyl)phenoxy]ethanol
SMILESCc1ccc(C(O)COc2ccccc2C(F)(F)F)s1
InChIInChI=1S/C14H13F3O2S/c1-9-6-7-13(20-9)11(18)8-19-12-5-3-2-4-10(12)14(15,16)17/h2-7,11,18H,8H2,1H3
InChIKeyOYLVYMFSKXLBPF-UHFFFAOYSA-N
XLogP4.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-pyridin-4-yl-2-[2-(trifluoromethyl)phenoxy]ethanol
CID 117246453
(2R)-1-amino-3-[2-(trifluoromethyl)phenoxy]propan-2-ol
CID 30121905
1-(5-methylthiophen-2-yl)-2-phenylmethoxyethanol
CID 130966335
3-[2-hydroxy-2-(5-methylthiophen-2-yl)ethoxy]phenol
CID 117240147
5,5,5-trifluoro-1-(5-methylthiophen-2-yl)pentan-1-ol
CID 115515429
1-(5-chlorothiophen-2-yl)-2-(2-methoxyphenoxy)ethanol
CID 117240074
1-(2,2-diethoxyethoxy)-2-(trifluoromethyl)benzene
CID 63628931
2-[2-(5-chlorothiophen-2-yl)-2-hydroxyethoxy]phenol
CID 117240073
1-cyclobutyl-2-[2-(trifluoromethyl)phenoxy]ethanol
CID 117245560
methyl 3-(2-methylphenoxy)-2-(5-methylthiophen-2-yl)propanoate
CID 117240952
4-methyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine
CID 117241681
2-(2-methylphenoxy)-1-thiophen-2-ylethanol
CID 117240007

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)-2-[2-(trifluoromethyl)phenoxy]ethanol?
The IUPAC name of 1-(5-methylthiophen-2-yl)-2-[2-(trifluoromethyl)phenoxy]ethanol (CID 117239992) is 1-(5-methylthiophen-2-yl)-2-[2-(trifluoromethyl)phenoxy]ethanol.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)-2-[2-(trifluoromethyl)phenoxy]ethanol?
The canonical SMILES for 1-(5-methylthiophen-2-yl)-2-[2-(trifluoromethyl)phenoxy]ethanol is Cc1ccc(C(O)COc2ccccc2C(F)(F)F)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)-2-[2-(trifluoromethyl)phenoxy]ethanol?
The InChIKey is OYLVYMFSKXLBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3O2S/c1-9-6-7-13(20-9)11(18)8-19-12-5-3-2-4-10(12)14(15,16)17/h2-7,11,18H,8H2,1H3.
What are the key properties of 1-(5-methylthiophen-2-yl)-2-[2-(trifluoromethyl)phenoxy]ethanol?
1-(5-methylthiophen-2-yl)-2-[2-(trifluoromethyl)phenoxy]ethanol has a molecular weight of 302.32 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)-2-[2-(trifluoromethyl)phenoxy]ethanol is sourced from PubChem (CID 117239992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).