1,1,1-trifluoro-2-(2-methoxy-6-methylphenyl)propan-2-ol

C11H13F3O2 — CID 83950086

IUPAC1,1,1-trifluoro-2-(2-methoxy-6-methylphenyl)propan-2-ol
SMILESCOc1cccc(C)c1C(C)(O)C(F)(F)F
InChIInChI=1S/C11H13F3O2/c1-7-5-4-6-8(16-3)9(7)10(2,15)11(12,13)14/h4-6,15H,1-3H3
InChIKeyPTHLGSMOUSMRDI-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.77
Rot. Bonds2

About 1,1,1-trifluoro-2-(2-methoxy-6-methylphenyl)propan-2-ol

1,1,1-trifluoro-2-(2-methoxy-6-methylphenyl)propan-2-ol (PubChem CID 83950086) has the molecular formula C11H13F3O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(2-methoxy-6-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(2-methoxy-6-methylphenyl)propan-2-ol
PubChem CID83950086
Molecular FormulaC11H13F3O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC Name1,1,1-trifluoro-2-(2-methoxy-6-methylphenyl)propan-2-ol
SMILESCOc1cccc(C)c1C(C)(O)C(F)(F)F
InChIInChI=1S/C11H13F3O2/c1-7-5-4-6-8(16-3)9(7)10(2,15)11(12,13)14/h4-6,15H,1-3H3
InChIKeyPTHLGSMOUSMRDI-UHFFFAOYSA-N
XLogP2.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-2-(2-methoxy-6-methylphenyl)propan-1-ol
CID 55268996
2-(1,1-difluoroethyl)-3-methoxyphenol
CID 84661311
2-(2-methoxy-6-methylphenyl)propan-2-yl acetate
CID 142944193
2-(2,3-dimethylphenyl)-1,1,1-trifluoropropan-2-ol
CID 58543603
2,2,3,3,3-pentafluoro-1-(2-methoxyphenyl)-1-(2-methylphenyl)propan-1-ol
CID 162511614
1-(2,6-dimethoxyphenyl)-1-(2-methoxyphenyl)ethanol
CID 116809641
4-amino-2-(2-fluoro-6-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 113389409
1-(3,5-difluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
CID 116809791
2-(6-bromo-2-fluoro-3-methoxyphenyl)-1,1,1-trifluoropropan-2-ol
CID 171366026
2-amino-1-[2-(1,1-difluoroethyl)-3-methoxyphenyl]ethanone
CID 84692542
2-[2-(1,1-difluoroethyl)-3-methoxyphenyl]acetic acid
CID 84693330
2-(2-methylphenoxy)propan-2-ol
CID 21192257

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(2-methoxy-6-methylphenyl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-(2-methoxy-6-methylphenyl)propan-2-ol (CID 83950086) is 1,1,1-trifluoro-2-(2-methoxy-6-methylphenyl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-(2-methoxy-6-methylphenyl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-(2-methoxy-6-methylphenyl)propan-2-ol is COc1cccc(C)c1C(C)(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(2-methoxy-6-methylphenyl)propan-2-ol?
The InChIKey is PTHLGSMOUSMRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O2/c1-7-5-4-6-8(16-3)9(7)10(2,15)11(12,13)14/h4-6,15H,1-3H3.
What are the key properties of 1,1,1-trifluoro-2-(2-methoxy-6-methylphenyl)propan-2-ol?
1,1,1-trifluoro-2-(2-methoxy-6-methylphenyl)propan-2-ol has a molecular weight of 234.22 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(2-methoxy-6-methylphenyl)propan-2-ol is sourced from PubChem (CID 83950086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).