4-tert-butyl-2-methoxy-1-(trifluoromethyl)benzene

C12H15F3O — CID 70832667

IUPAC4-tert-butyl-2-methoxy-1-(trifluoromethyl)benzene
SMILESCOc1cc(C(C)(C)C)ccc1C(F)(F)F
InChIInChI=1S/C12H15F3O/c1-11(2,3)8-5-6-9(12(13,14)15)10(7-8)16-4/h5-7H,1-4H3
InChIKeyAPXSCMYPIWTBNJ-UHFFFAOYSA-N
MW232.24 g/mol
LogP4.01
Rot. Bonds1

About 4-tert-butyl-2-methoxy-1-(trifluoromethyl)benzene

4-tert-butyl-2-methoxy-1-(trifluoromethyl)benzene (PubChem CID 70832667) has the molecular formula C12H15F3O and a molecular weight of 232.24 g/mol. Its IUPAC name is 4-tert-butyl-2-methoxy-1-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-tert-butyl-2-methoxy-1-(trifluoromethyl)benzene
PubChem CID70832667
Molecular FormulaC12H15F3O
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name4-tert-butyl-2-methoxy-1-(trifluoromethyl)benzene
SMILESCOc1cc(C(C)(C)C)ccc1C(F)(F)F
InChIInChI=1S/C12H15F3O/c1-11(2,3)8-5-6-9(12(13,14)15)10(7-8)16-4/h5-7H,1-4H3
InChIKeyAPXSCMYPIWTBNJ-UHFFFAOYSA-N
XLogP4.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-2-(difluoromethoxy)-1-methoxybenzene
CID 121300586
1-[3-methoxy-4-(trifluoromethyl)phenyl]-N-methylmethanamine;hydrochloride
CID 155970638
ethane;1-methoxy-2-(trifluoromethyl)benzene
CID 143508037
2-(5-tert-butyl-2-methoxyphenyl)-5-[2-(trifluoromethyl)phenyl]furan
CID 167864765
[2-methoxy-4-(trifluoromethyl)phenyl]phosphane
CID 151566843
1-methoxy-2-methyl-3,5-bis(trifluoromethyl)benzene
CID 74891112
3-[3-methoxy-4-(trifluoromethyl)phenyl]propanal
CID 134621964
2-methoxy-4-(2-methylbutyl)-1-(trifluoromethyl)benzene
CID 177016098
4-[2-[4-amino-2-(trifluoromethyl)phenoxy]-4-tert-butylphenoxy]-3-(trifluoromethyl)aniline
CID 102252770
1-(2,2-dimethylpropyl)-2-methoxy-4-(trifluoromethyl)benzene
CID 130220201
1-methoxy-5-methyl-2,4-bis(trifluoromethyl)benzene
CID 135743171
4-tert-butyl-2-(trifluoromethyl)phenol
CID 12652102

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-methoxy-1-(trifluoromethyl)benzene?
The IUPAC name of 4-tert-butyl-2-methoxy-1-(trifluoromethyl)benzene (CID 70832667) is 4-tert-butyl-2-methoxy-1-(trifluoromethyl)benzene.
What is the SMILES notation for 4-tert-butyl-2-methoxy-1-(trifluoromethyl)benzene?
The canonical SMILES for 4-tert-butyl-2-methoxy-1-(trifluoromethyl)benzene is COc1cc(C(C)(C)C)ccc1C(F)(F)F.
What is the InChIKey of 4-tert-butyl-2-methoxy-1-(trifluoromethyl)benzene?
The InChIKey is APXSCMYPIWTBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O/c1-11(2,3)8-5-6-9(12(13,14)15)10(7-8)16-4/h5-7H,1-4H3.
What are the key properties of 4-tert-butyl-2-methoxy-1-(trifluoromethyl)benzene?
4-tert-butyl-2-methoxy-1-(trifluoromethyl)benzene has a molecular weight of 232.24 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-methoxy-1-(trifluoromethyl)benzene is sourced from PubChem (CID 70832667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).