2-[2-methoxy-5-(trifluoromethyl)phenyl]-2-methylpropan-1-ol

C12H15F3O2 — CID 117373100

IUPAC2-[2-methoxy-5-(trifluoromethyl)phenyl]-2-methylpropan-1-ol
SMILESCOc1ccc(C(F)(F)F)cc1C(C)(C)CO
InChIInChI=1S/C12H15F3O2/c1-11(2,7-16)9-6-8(12(13,14)15)4-5-10(9)17-3/h4-6,16H,7H2,1-3H3
InChIKeyQSOZMCDVUZAHFZ-UHFFFAOYSA-N
MW248.24 g/mol
LogP2.98
Rot. Bonds3

About 2-[2-methoxy-5-(trifluoromethyl)phenyl]-2-methylpropan-1-ol

2-[2-methoxy-5-(trifluoromethyl)phenyl]-2-methylpropan-1-ol (PubChem CID 117373100) has the molecular formula C12H15F3O2 and a molecular weight of 248.24 g/mol. Its IUPAC name is 2-[2-methoxy-5-(trifluoromethyl)phenyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[2-methoxy-5-(trifluoromethyl)phenyl]-2-methylpropan-1-ol
PubChem CID117373100
Molecular FormulaC12H15F3O2
Molecular Weight248.24 g/mol
Exact Mass248.10
IUPAC Name2-[2-methoxy-5-(trifluoromethyl)phenyl]-2-methylpropan-1-ol
SMILESCOc1ccc(C(F)(F)F)cc1C(C)(C)CO
InChIInChI=1S/C12H15F3O2/c1-11(2,7-16)9-6-8(12(13,14)15)4-5-10(9)17-3/h4-6,16H,7H2,1-3H3
InChIKeyQSOZMCDVUZAHFZ-UHFFFAOYSA-N
XLogP2.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-tert-butyl-4-methoxyphenyl)-2-methylpropan-1-ol
CID 82129591
2-[5-(difluoromethyl)-2-methoxyphenyl]-2-methylpropan-1-ol
CID 117332377
2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-2-methylpropan-1-ol
CID 117445820
2-(4-methoxy-3-methylphenyl)-2-methylpropan-1-ol
CID 82125771
2-(2-methoxy-5-pentan-3-ylphenyl)-2-methylpropan-1-ol
CID 117379898
2-(3-chloro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 82126929
2-(4-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol
CID 83686232
2-(5-tert-butyl-2-phenylmethoxyphenyl)-2-methylpropan-1-ol
CID 59544164
(3R)-3-amino-3-[2-methoxy-4-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-ol
CID 171251936
(3S)-3-amino-3-[2-methoxy-4-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-ol;hydrochloride
CID 171245204
2-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol
CID 117328986
1,1,1-trifluoro-2-[2-propoxy-5-(trifluoromethyl)phenyl]propan-2-ol
CID 83949751

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-5-(trifluoromethyl)phenyl]-2-methylpropan-1-ol?
The IUPAC name of 2-[2-methoxy-5-(trifluoromethyl)phenyl]-2-methylpropan-1-ol (CID 117373100) is 2-[2-methoxy-5-(trifluoromethyl)phenyl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[2-methoxy-5-(trifluoromethyl)phenyl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[2-methoxy-5-(trifluoromethyl)phenyl]-2-methylpropan-1-ol is COc1ccc(C(F)(F)F)cc1C(C)(C)CO.
What is the InChIKey of 2-[2-methoxy-5-(trifluoromethyl)phenyl]-2-methylpropan-1-ol?
The InChIKey is QSOZMCDVUZAHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O2/c1-11(2,7-16)9-6-8(12(13,14)15)4-5-10(9)17-3/h4-6,16H,7H2,1-3H3.
What are the key properties of 2-[2-methoxy-5-(trifluoromethyl)phenyl]-2-methylpropan-1-ol?
2-[2-methoxy-5-(trifluoromethyl)phenyl]-2-methylpropan-1-ol has a molecular weight of 248.24 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-5-(trifluoromethyl)phenyl]-2-methylpropan-1-ol is sourced from PubChem (CID 117373100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).