1-methoxy-3-[4-(trifluoromethyl)phenyl]propan-2-ol

C11H13F3O2 — CID 62606366

IUPAC1-methoxy-3-[4-(trifluoromethyl)phenyl]propan-2-ol
SMILESCOCC(O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H13F3O2/c1-16-7-10(15)6-8-2-4-9(5-3-8)11(12,13)14/h2-5,10,15H,6-7H2,1H3
InChIKeyKBMNMNIARXWOIH-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.26
Rot. Bonds4

About 1-methoxy-3-[4-(trifluoromethyl)phenyl]propan-2-ol

1-methoxy-3-[4-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 62606366) has the molecular formula C11H13F3O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is 1-methoxy-3-[4-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[4-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID62606366
Molecular FormulaC11H13F3O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC Name1-methoxy-3-[4-(trifluoromethyl)phenyl]propan-2-ol
SMILESCOCC(O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H13F3O2/c1-16-7-10(15)6-8-2-4-9(5-3-8)11(12,13)14/h2-5,10,15H,6-7H2,1H3
InChIKeyKBMNMNIARXWOIH-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-1-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 55095519
(2S)-1-methoxy-3-(4-methoxyphenyl)propan-2-ol
CID 101107331
4-(2,2,2-trifluoroethoxy)-1-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 103147476
5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-ol
CID 79953429
1-(2-bromo-4-methoxybutyl)-4-(trifluoromethyl)benzene
CID 63018737
3-ethyl-3-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-2-ol
CID 116752705
4-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 65148752
4,6,6-trimethyl-1-[4-(trifluoromethyl)phenyl]heptan-2-ol
CID 115791046
1-(2-chloro-5-methoxypentyl)-4-(trifluoromethyl)benzene
CID 114198195
1-(4-ethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 103216652
1-thiophen-3-yl-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 115788878
1-(3-chloro-4-fluorophenyl)-3-methoxypropan-2-ol
CID 103039553

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[4-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of 1-methoxy-3-[4-(trifluoromethyl)phenyl]propan-2-ol (CID 62606366) is 1-methoxy-3-[4-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[4-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[4-(trifluoromethyl)phenyl]propan-2-ol is COCC(O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-methoxy-3-[4-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is KBMNMNIARXWOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O2/c1-16-7-10(15)6-8-2-4-9(5-3-8)11(12,13)14/h2-5,10,15H,6-7H2,1H3.
What are the key properties of 1-methoxy-3-[4-(trifluoromethyl)phenyl]propan-2-ol?
1-methoxy-3-[4-(trifluoromethyl)phenyl]propan-2-ol has a molecular weight of 234.22 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[4-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 62606366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).