2-tert-butyl-6-methoxy-4-(2,2,2-trifluoroethyl)phenol

C13H17F3O2 — CID 132552220

IUPAC2-tert-butyl-6-methoxy-4-(2,2,2-trifluoroethyl)phenol
SMILESCOc1cc(CC(F)(F)F)cc(C(C)(C)C)c1O
InChIInChI=1S/C13H17F3O2/c1-12(2,3)9-5-8(7-13(14,15)16)6-10(18-4)11(9)17/h5-6,17H,7H2,1-4H3
InChIKeyNSJWKYAVYGPXMH-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.80
Rot. Bonds2

About 2-tert-butyl-6-methoxy-4-(2,2,2-trifluoroethyl)phenol

2-tert-butyl-6-methoxy-4-(2,2,2-trifluoroethyl)phenol (PubChem CID 132552220) has the molecular formula C13H17F3O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-tert-butyl-6-methoxy-4-(2,2,2-trifluoroethyl)phenol.

Molecular Properties

Compound Name2-tert-butyl-6-methoxy-4-(2,2,2-trifluoroethyl)phenol
PubChem CID132552220
Molecular FormulaC13H17F3O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Name2-tert-butyl-6-methoxy-4-(2,2,2-trifluoroethyl)phenol
SMILESCOc1cc(CC(F)(F)F)cc(C(C)(C)C)c1O
InChIInChI=1S/C13H17F3O2/c1-12(2,3)9-5-8(7-13(14,15)16)6-10(18-4)11(9)17/h5-6,17H,7H2,1-4H3
InChIKeyNSJWKYAVYGPXMH-UHFFFAOYSA-N
XLogP3.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-2,3-bis[(3-tert-butyl-4-hydroxy-5-methoxyphenyl)methyl]butanedioic acid
CID 11851419
2-tert-butyl-6-methoxybenzene-1,4-diol
CID 121217885
diethyl (2R,3R)-2,3-bis[(3-tert-butyl-4-hydroxy-5-methoxyphenyl)methyl]butanedioate
CID 11584884
2-tert-butyl-4-(3-tert-butyl-4-hydroxy-5-methoxyphenyl)sulfanyl-6-methoxyphenol
CID 19389438
4-(2-aminooxyethyl)-2-methoxy-6-(trifluoromethyl)phenol
CID 117380355
4-(3-amino-2,2-dimethylpropyl)-2,6-ditert-butylphenol
CID 20536288
2,6-ditert-butyl-4-methoxyphenol
CID 10269
2,6-dimethoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol
CID 78971012
[3-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]methanol
CID 84691885
4-[2-(2-amino-3-methoxyphenyl)ethyl]-2,6-ditert-butylphenol
CID 19960491
2-tert-butyl-6-(4-hydroxy-3,5-dimethoxyphenyl)-4-methylphenol
CID 132548292
4-(chloromethyl)-2,6-dimethoxyphenol
CID 86126298

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-methoxy-4-(2,2,2-trifluoroethyl)phenol?
The IUPAC name of 2-tert-butyl-6-methoxy-4-(2,2,2-trifluoroethyl)phenol (CID 132552220) is 2-tert-butyl-6-methoxy-4-(2,2,2-trifluoroethyl)phenol.
What is the SMILES notation for 2-tert-butyl-6-methoxy-4-(2,2,2-trifluoroethyl)phenol?
The canonical SMILES for 2-tert-butyl-6-methoxy-4-(2,2,2-trifluoroethyl)phenol is COc1cc(CC(F)(F)F)cc(C(C)(C)C)c1O.
What is the InChIKey of 2-tert-butyl-6-methoxy-4-(2,2,2-trifluoroethyl)phenol?
The InChIKey is NSJWKYAVYGPXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3O2/c1-12(2,3)9-5-8(7-13(14,15)16)6-10(18-4)11(9)17/h5-6,17H,7H2,1-4H3.
What are the key properties of 2-tert-butyl-6-methoxy-4-(2,2,2-trifluoroethyl)phenol?
2-tert-butyl-6-methoxy-4-(2,2,2-trifluoroethyl)phenol has a molecular weight of 262.27 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-methoxy-4-(2,2,2-trifluoroethyl)phenol is sourced from PubChem (CID 132552220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).