2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-2-methylpropan-1-ol

C13H17F3O3 — CID 117445820

IUPAC2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-2-methylpropan-1-ol
SMILESCOc1cc(C(F)(F)F)c(C(C)(C)CO)cc1OC
InChIInChI=1S/C13H17F3O3/c1-12(2,7-17)8-5-10(18-3)11(19-4)6-9(8)13(14,15)16/h5-6,17H,7H2,1-4H3
InChIKeyDLLSGZWWHCWRRZ-UHFFFAOYSA-N
MW278.27 g/mol
LogP2.99
Rot. Bonds4

About 2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-2-methylpropan-1-ol

2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-2-methylpropan-1-ol (PubChem CID 117445820) has the molecular formula C13H17F3O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is 2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-2-methylpropan-1-ol
PubChem CID117445820
Molecular FormulaC13H17F3O3
Molecular Weight278.27 g/mol
Exact Mass278.11
IUPAC Name2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-2-methylpropan-1-ol
SMILESCOc1cc(C(F)(F)F)c(C(C)(C)CO)cc1OC
InChIInChI=1S/C13H17F3O3/c1-12(2,7-17)8-5-10(18-3)11(19-4)6-9(8)13(14,15)16/h5-6,17H,7H2,1-4H3
InChIKeyDLLSGZWWHCWRRZ-UHFFFAOYSA-N
XLogP2.99
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-methoxy-5-(trifluoromethyl)phenyl]-2-methylpropan-1-ol
CID 117373100
2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]propan-2-amine
CID 117412105
2-(1-hydroxy-2-methylpropan-2-yl)-4,5-dimethoxybenzaldehyde
CID 117349264
2-methoxy-4,5-bis(trifluoromethyl)phenol
CID 118852194
2-(2-bromo-4,5-dimethoxyphenyl)-2-fluoropropan-1-ol
CID 105424355
2-(4,5-dimethoxy-2,3-dimethylphenyl)-2-methylpropan-1-ol
CID 117349580
4-(1-hydroxy-2-methylpropan-2-yl)-3-(trifluoromethyl)phenol
CID 117339956
[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]methanol
CID 84695385
2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117492174
2-(5-bromo-2-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol
CID 117443682
2-(2,5-dichloro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 82296791
2-[5-(difluoromethyl)-2-methoxyphenyl]-2-methylpropan-1-ol
CID 117332377

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-2-methylpropan-1-ol?
The IUPAC name of 2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-2-methylpropan-1-ol (CID 117445820) is 2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-2-methylpropan-1-ol is COc1cc(C(F)(F)F)c(C(C)(C)CO)cc1OC.
What is the InChIKey of 2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-2-methylpropan-1-ol?
The InChIKey is DLLSGZWWHCWRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3O3/c1-12(2,7-17)8-5-10(18-3)11(19-4)6-9(8)13(14,15)16/h5-6,17H,7H2,1-4H3.
What are the key properties of 2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-2-methylpropan-1-ol?
2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-2-methylpropan-1-ol has a molecular weight of 278.27 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-2-methylpropan-1-ol is sourced from PubChem (CID 117445820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).