3-methoxy-1-[2-(trifluoromethyl)phenyl]propan-1-ol

C11H13F3O2 — CID 62802306

IUPAC3-methoxy-1-[2-(trifluoromethyl)phenyl]propan-1-ol
SMILESCOCCC(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H13F3O2/c1-16-7-6-10(15)8-4-2-3-5-9(8)11(12,13)14/h2-5,10,15H,6-7H2,1H3
InChIKeyLOHAYPUTWBZILQ-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.78
Rot. Bonds4

About 3-methoxy-1-[2-(trifluoromethyl)phenyl]propan-1-ol

3-methoxy-1-[2-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 62802306) has the molecular formula C11H13F3O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is 3-methoxy-1-[2-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-methoxy-1-[2-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID62802306
Molecular FormulaC11H13F3O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC Name3-methoxy-1-[2-(trifluoromethyl)phenyl]propan-1-ol
SMILESCOCCC(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H13F3O2/c1-16-7-6-10(15)8-4-2-3-5-9(8)11(12,13)14/h2-5,10,15H,6-7H2,1H3
InChIKeyLOHAYPUTWBZILQ-UHFFFAOYSA-N
XLogP2.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 105096259
3-(2,2,2-trifluoroethoxy)-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 103147504
4-methoxy-3-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol
CID 105096267
(1R)-3-amino-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 96951616
1-[2-(trifluoromethyl)phenyl]nonan-1-ol
CID 65148219
N-ethyl-3-methoxy-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 62800996
1-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-(2-methoxyethyl)urea
CID 95266924
(1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol
CID 40787149
2-aminooxy-1-[2-(trifluoromethyl)phenyl]ethanol
CID 105476954
(3S)-3-hydroxy-3-[2-(trifluoromethyl)phenyl]propanoic acid
CID 94425338
2-(3-methoxyphenyl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 62801984
N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-methoxybenzamide
CID 94816564

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[2-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 3-methoxy-1-[2-(trifluoromethyl)phenyl]propan-1-ol (CID 62802306) is 3-methoxy-1-[2-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-methoxy-1-[2-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 3-methoxy-1-[2-(trifluoromethyl)phenyl]propan-1-ol is COCCC(O)c1ccccc1C(F)(F)F.
What is the InChIKey of 3-methoxy-1-[2-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is LOHAYPUTWBZILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O2/c1-16-7-6-10(15)8-4-2-3-5-9(8)11(12,13)14/h2-5,10,15H,6-7H2,1H3.
What are the key properties of 3-methoxy-1-[2-(trifluoromethyl)phenyl]propan-1-ol?
3-methoxy-1-[2-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 234.22 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[2-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 62802306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).