1-methoxy-2-(2-methylpropoxy)-4-(trifluoromethyl)benzene

C12H15F3O2 — CID 163970226

IUPAC1-methoxy-2-(2-methylpropoxy)-4-(trifluoromethyl)benzene
SMILESCOc1ccc(C(F)(F)F)cc1OCC(C)C
InChIInChI=1S/C12H15F3O2/c1-8(2)7-17-11-6-9(12(13,14)15)4-5-10(11)16-3/h4-6,8H,7H2,1-3H3
InChIKeySPIZTVPPGMXQSY-UHFFFAOYSA-N
MW248.24 g/mol
LogP3.75
Rot. Bonds4

About 1-methoxy-2-(2-methylpropoxy)-4-(trifluoromethyl)benzene

1-methoxy-2-(2-methylpropoxy)-4-(trifluoromethyl)benzene (PubChem CID 163970226) has the molecular formula C12H15F3O2 and a molecular weight of 248.24 g/mol. Its IUPAC name is 1-methoxy-2-(2-methylpropoxy)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-methoxy-2-(2-methylpropoxy)-4-(trifluoromethyl)benzene
PubChem CID163970226
Molecular FormulaC12H15F3O2
Molecular Weight248.24 g/mol
Exact Mass248.10
IUPAC Name1-methoxy-2-(2-methylpropoxy)-4-(trifluoromethyl)benzene
SMILESCOc1ccc(C(F)(F)F)cc1OCC(C)C
InChIInChI=1S/C12H15F3O2/c1-8(2)7-17-11-6-9(12(13,14)15)4-5-10(11)16-3/h4-6,8H,7H2,1-3H3
InChIKeySPIZTVPPGMXQSY-UHFFFAOYSA-N
XLogP3.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethynyl-1-(2-methylpropoxy)-4-(trifluoromethyl)benzene
CID 157049200
4-methoxy-3-(2-methylpropoxy)benzenethiol
CID 91656127
1-[2-methoxy-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 167530944
2-(2-methoxyphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 117244544
2-(difluoromethyl)-1-methoxy-4-(trifluoromethyl)benzene
CID 46311740
2-[2-(2-methylpropoxy)ethoxy]-5-(trifluoromethyl)aniline
CID 106446774
4-bromo-1-(2-methylpropoxy)-2-(2,2,2-trifluoroethoxy)benzene
CID 155928749
1-[4-methoxy-3-(2-methylpropoxy)phenyl]propan-1-one
CID 91657177
[2-methoxy-4-(trifluoromethyl)phenyl]phosphane
CID 151566843
3-[4-methoxy-3-(2-methylpropoxy)phenyl]propan-1-amine
CID 82161145
2-(4-bromo-3-methylbutan-2-yl)-1-methoxy-4-(trifluoromethyl)benzene
CID 83921031
N-[2-(3,4-dimethoxyphenyl)-2,2-difluoroethyl]-2-methylpropan-1-amine
CID 83107503

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(2-methylpropoxy)-4-(trifluoromethyl)benzene?
The IUPAC name of 1-methoxy-2-(2-methylpropoxy)-4-(trifluoromethyl)benzene (CID 163970226) is 1-methoxy-2-(2-methylpropoxy)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-methoxy-2-(2-methylpropoxy)-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-methoxy-2-(2-methylpropoxy)-4-(trifluoromethyl)benzene is COc1ccc(C(F)(F)F)cc1OCC(C)C.
What is the InChIKey of 1-methoxy-2-(2-methylpropoxy)-4-(trifluoromethyl)benzene?
The InChIKey is SPIZTVPPGMXQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O2/c1-8(2)7-17-11-6-9(12(13,14)15)4-5-10(11)16-3/h4-6,8H,7H2,1-3H3.
What are the key properties of 1-methoxy-2-(2-methylpropoxy)-4-(trifluoromethyl)benzene?
1-methoxy-2-(2-methylpropoxy)-4-(trifluoromethyl)benzene has a molecular weight of 248.24 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(2-methylpropoxy)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 163970226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).