[4-(4-methylthiophen-2-yl)-2-(trifluoromethoxy)phenyl]methanol

C13H11F3O2S — CID 172650096

IUPAC[4-(4-methylthiophen-2-yl)-2-(trifluoromethoxy)phenyl]methanol
SMILESCc1csc(-c2ccc(CO)c(OC(F)(F)F)c2)c1
InChIInChI=1S/C13H11F3O2S/c1-8-4-12(19-7-8)9-2-3-10(6-17)11(5-9)18-13(14,15)16/h2-5,7,17H,6H2,1H3
InChIKeyWCZBJYHLPDCJBP-UHFFFAOYSA-N
MW288.29 g/mol
LogP4.11
Rot. Bonds3

About [4-(4-methylthiophen-2-yl)-2-(trifluoromethoxy)phenyl]methanol

[4-(4-methylthiophen-2-yl)-2-(trifluoromethoxy)phenyl]methanol (PubChem CID 172650096) has the molecular formula C13H11F3O2S and a molecular weight of 288.29 g/mol. Its IUPAC name is [4-(4-methylthiophen-2-yl)-2-(trifluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name[4-(4-methylthiophen-2-yl)-2-(trifluoromethoxy)phenyl]methanol
PubChem CID172650096
Molecular FormulaC13H11F3O2S
Molecular Weight288.29 g/mol
Exact Mass288.04
IUPAC Name[4-(4-methylthiophen-2-yl)-2-(trifluoromethoxy)phenyl]methanol
SMILESCc1csc(-c2ccc(CO)c(OC(F)(F)F)c2)c1
InChIInChI=1S/C13H11F3O2S/c1-8-4-12(19-7-8)9-2-3-10(6-17)11(5-9)18-13(14,15)16/h2-5,7,17H,6H2,1H3
InChIKeyWCZBJYHLPDCJBP-UHFFFAOYSA-N
XLogP4.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-methoxy-5-(4-methylthiophen-2-yl)phenyl]methanol
CID 172650126
5-(4-methylthiophen-2-yl)-2-(trifluoromethoxy)benzoic acid
CID 172650133
[2-chloro-5-(4-methylthiophen-2-yl)phenyl]methanol
CID 172650124
[5-methyl-2-(trifluoromethoxy)phenyl]methanol
CID 67765469
[4-amino-2-(trifluoromethoxy)phenyl]methanol
CID 118822833
[2-(difluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]phenyl]methanol
CID 171382948
[2-(4-tert-butylphenoxy)-4-[4-(trifluoromethoxy)phenyl]phenyl]methanol
CID 58007706
[4-nitro-2-(trifluoromethoxy)phenyl]methanol
CID 171028715
[3-(trifluoromethoxy)naphthalen-2-yl]methanol
CID 118854447
1-(chloromethyl)-4-methyl-2-[4-(trifluoromethoxy)phenyl]benzene
CID 170552809
methyl 2-[4-methyl-2-(trifluoromethoxy)phenyl]acetate
CID 170997204
[2-ethoxy-4-(trifluoromethoxy)phenyl]methanol
CID 170997954

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylthiophen-2-yl)-2-(trifluoromethoxy)phenyl]methanol?
The IUPAC name of [4-(4-methylthiophen-2-yl)-2-(trifluoromethoxy)phenyl]methanol (CID 172650096) is [4-(4-methylthiophen-2-yl)-2-(trifluoromethoxy)phenyl]methanol.
What is the SMILES notation for [4-(4-methylthiophen-2-yl)-2-(trifluoromethoxy)phenyl]methanol?
The canonical SMILES for [4-(4-methylthiophen-2-yl)-2-(trifluoromethoxy)phenyl]methanol is Cc1csc(-c2ccc(CO)c(OC(F)(F)F)c2)c1.
What is the InChIKey of [4-(4-methylthiophen-2-yl)-2-(trifluoromethoxy)phenyl]methanol?
The InChIKey is WCZBJYHLPDCJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3O2S/c1-8-4-12(19-7-8)9-2-3-10(6-17)11(5-9)18-13(14,15)16/h2-5,7,17H,6H2,1H3.
What are the key properties of [4-(4-methylthiophen-2-yl)-2-(trifluoromethoxy)phenyl]methanol?
[4-(4-methylthiophen-2-yl)-2-(trifluoromethoxy)phenyl]methanol has a molecular weight of 288.29 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylthiophen-2-yl)-2-(trifluoromethoxy)phenyl]methanol is sourced from PubChem (CID 172650096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).