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

C11H13F3O2 — CID 117339947

IUPAC1-[2-methoxy-3-(trifluoromethyl)phenyl]propan-2-ol
SMILESCOc1c(CC(C)O)cccc1C(F)(F)F
InChIInChI=1S/C11H13F3O2/c1-7(15)6-8-4-3-5-9(10(8)16-2)11(12,13)14/h3-5,7,15H,6H2,1-2H3
InChIKeyRBJXTZIPGKYXSG-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.64
Rot. Bonds3

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

1-[2-methoxy-3-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 117339947) has the molecular formula C11H13F3O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is 1-[2-methoxy-3-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[2-methoxy-3-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID117339947
Molecular FormulaC11H13F3O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC Name1-[2-methoxy-3-(trifluoromethyl)phenyl]propan-2-ol
SMILESCOc1c(CC(C)O)cccc1C(F)(F)F
InChIInChI=1S/C11H13F3O2/c1-7(15)6-8-4-3-5-9(10(8)16-2)11(12,13)14/h3-5,7,15H,6H2,1-2H3
InChIKeyRBJXTZIPGKYXSG-UHFFFAOYSA-N
XLogP2.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-hydroxypropyl)-6-(trifluoromethyl)phenol
CID 117313740
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CID 83675437
1-[2-(1,1-difluoroethyl)phenyl]propan-2-ol
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3-[2-methoxy-3-(trifluoromethyl)phenyl]-N,N-dimethylpropan-1-amine
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1-[2-(2-methoxypropan-2-yl)phenyl]propan-2-ol
CID 117114443
1-(2-methoxy-3-pentoxyphenyl)propan-2-ol
CID 82160918
1-[1-methyl-4-(trifluoromethyl)indol-3-yl]propan-2-ol
CID 117119526
(2R)-1-(2-methoxyphenyl)propan-2-ol
CID 6951555
1-[2-(trifluoromethyl)phenyl]butane-2,3-diol
CID 175401448
1-[4-methoxy-3-(trifluoromethyl)phenyl]propan-2-ol
CID 117339948
N-[[2-methoxy-3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;2-methylpropan-2-amine
CID 171929449

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-3-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of 1-[2-methoxy-3-(trifluoromethyl)phenyl]propan-2-ol (CID 117339947) is 1-[2-methoxy-3-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for 1-[2-methoxy-3-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for 1-[2-methoxy-3-(trifluoromethyl)phenyl]propan-2-ol is COc1c(CC(C)O)cccc1C(F)(F)F.
What is the InChIKey of 1-[2-methoxy-3-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is RBJXTZIPGKYXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O2/c1-7(15)6-8-4-3-5-9(10(8)16-2)11(12,13)14/h3-5,7,15H,6H2,1-2H3.
What are the key properties of 1-[2-methoxy-3-(trifluoromethyl)phenyl]propan-2-ol?
1-[2-methoxy-3-(trifluoromethyl)phenyl]propan-2-ol has a molecular weight of 234.22 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-3-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 117339947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).