3,3,3-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)propan-1-ol

C12H15F3O2 — CID 106680156

IUPAC3,3,3-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)propan-1-ol
SMILESCOc1cc(C)cc(C)c1C(O)CC(F)(F)F
InChIInChI=1S/C12H15F3O2/c1-7-4-8(2)11(10(5-7)17-3)9(16)6-12(13,14)15/h4-5,9,16H,6H2,1-3H3
InChIKeyDKCIGBGSUDHJOR-UHFFFAOYSA-N
MW248.24 g/mol
LogP3.30
Rot. Bonds3

About 3,3,3-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)propan-1-ol

3,3,3-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)propan-1-ol (PubChem CID 106680156) has the molecular formula C12H15F3O2 and a molecular weight of 248.24 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)propan-1-ol
PubChem CID106680156
Molecular FormulaC12H15F3O2
Molecular Weight248.24 g/mol
Exact Mass248.10
IUPAC Name3,3,3-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)propan-1-ol
SMILESCOc1cc(C)cc(C)c1C(O)CC(F)(F)F
InChIInChI=1S/C12H15F3O2/c1-7-4-8(2)11(10(5-7)17-3)9(16)6-12(13,14)15/h4-5,9,16H,6H2,1-3H3
InChIKeyDKCIGBGSUDHJOR-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 106682653
2-(3,5-dimethylphenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanol
CID 106680174
1-(2-methoxy-4,6-dimethylphenyl)-2-propoxyethanol
CID 106680167
3,3,3-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)-N-propylpropan-1-amine
CID 106680472
(1S)-1-(2,6-dimethoxy-4-methylphenyl)-3,3,3-trifluoropropan-1-amine
CID 171235561
4,4,4-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)-N-methylbutan-1-amine
CID 106680772
2-(3,4-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanol
CID 106682618
1-(2-methoxy-4,6-dimethylphenyl)-2-phenylsulfanylethanol
CID 106680203
1-(2-methoxy-4,6-dimethylphenyl)-2-(thian-4-yl)ethanol
CID 106682608
2-amino-2-(2-methoxy-4,6-dimethylphenyl)ethanol
CID 77129779
1-(2-methoxy-4,6-dimethylphenyl)-2,3-dimethylbutan-1-ol
CID 106682562
3-(cyclopropylamino)-1-(2-methoxy-4,6-dimethylphenyl)propan-1-ol
CID 112518695

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)propan-1-ol?
The IUPAC name of 3,3,3-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)propan-1-ol (CID 106680156) is 3,3,3-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)propan-1-ol.
What is the SMILES notation for 3,3,3-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)propan-1-ol?
The canonical SMILES for 3,3,3-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)propan-1-ol is COc1cc(C)cc(C)c1C(O)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)propan-1-ol?
The InChIKey is DKCIGBGSUDHJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O2/c1-7-4-8(2)11(10(5-7)17-3)9(16)6-12(13,14)15/h4-5,9,16H,6H2,1-3H3.
What are the key properties of 3,3,3-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)propan-1-ol?
3,3,3-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)propan-1-ol has a molecular weight of 248.24 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)propan-1-ol is sourced from PubChem (CID 106680156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).