5-methoxy-1-[4-(trifluoromethoxy)phenyl]hexan-2-ol

C14H19F3O3 — CID 105088105

IUPAC5-methoxy-1-[4-(trifluoromethoxy)phenyl]hexan-2-ol
SMILESCOC(C)CCC(O)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H19F3O3/c1-10(19-2)3-6-12(18)9-11-4-7-13(8-5-11)20-14(15,16)17/h4-5,7-8,10,12,18H,3,6,9H2,1-2H3
InChIKeyMWRFDRUMVBPMEO-UHFFFAOYSA-N
MW292.30 g/mol
LogP3.30
Rot. Bonds7

About 5-methoxy-1-[4-(trifluoromethoxy)phenyl]hexan-2-ol

5-methoxy-1-[4-(trifluoromethoxy)phenyl]hexan-2-ol (PubChem CID 105088105) has the molecular formula C14H19F3O3 and a molecular weight of 292.30 g/mol. Its IUPAC name is 5-methoxy-1-[4-(trifluoromethoxy)phenyl]hexan-2-ol.

Molecular Properties

Compound Name5-methoxy-1-[4-(trifluoromethoxy)phenyl]hexan-2-ol
PubChem CID105088105
Molecular FormulaC14H19F3O3
Molecular Weight292.30 g/mol
Exact Mass292.13
IUPAC Name5-methoxy-1-[4-(trifluoromethoxy)phenyl]hexan-2-ol
SMILESCOC(C)CCC(O)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H19F3O3/c1-10(19-2)3-6-12(18)9-11-4-7-13(8-5-11)20-14(15,16)17/h4-5,7-8,10,12,18H,3,6,9H2,1-2H3
InChIKeyMWRFDRUMVBPMEO-UHFFFAOYSA-N
XLogP3.30
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-ol
CID 62606117
5-methoxy-1-[4-(trifluoromethoxy)phenyl]hexan-2-one
CID 105090002
4-cyclopentyl-1-[4-(trifluoromethoxy)phenyl]butan-2-ol
CID 115787298
3-propyl-1-[4-(trifluoromethoxy)phenyl]hexan-2-ol
CID 115787256
1-(1-methoxycyclobutyl)-3-[4-(trifluoromethoxy)phenyl]propan-2-ol
CID 103560075
1,1-dimethoxy-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
CID 79492941
3-methoxy-N-methyl-1-[4-(trifluoromethoxy)phenyl]butan-2-amine
CID 79616456
1-(3-fluorophenyl)-5-methoxyhexan-2-ol
CID 105078984
1-cyclopropyl-1-methoxy-3-[4-(trifluoromethoxy)phenyl]propan-2-ol
CID 116712645
1-(3-bromo-2-methylpropyl)-4-(trifluoromethoxy)benzene
CID 66048084
1-cyclopentyl-3-[4-(trifluoromethoxy)phenyl]propan-2-ol
CID 115787261
1-(3-methylbutyl)-4-(trifluoromethoxy)benzene
CID 129296221

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-[4-(trifluoromethoxy)phenyl]hexan-2-ol?
The IUPAC name of 5-methoxy-1-[4-(trifluoromethoxy)phenyl]hexan-2-ol (CID 105088105) is 5-methoxy-1-[4-(trifluoromethoxy)phenyl]hexan-2-ol.
What is the SMILES notation for 5-methoxy-1-[4-(trifluoromethoxy)phenyl]hexan-2-ol?
The canonical SMILES for 5-methoxy-1-[4-(trifluoromethoxy)phenyl]hexan-2-ol is COC(C)CCC(O)Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 5-methoxy-1-[4-(trifluoromethoxy)phenyl]hexan-2-ol?
The InChIKey is MWRFDRUMVBPMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3O3/c1-10(19-2)3-6-12(18)9-11-4-7-13(8-5-11)20-14(15,16)17/h4-5,7-8,10,12,18H,3,6,9H2,1-2H3.
What are the key properties of 5-methoxy-1-[4-(trifluoromethoxy)phenyl]hexan-2-ol?
5-methoxy-1-[4-(trifluoromethoxy)phenyl]hexan-2-ol has a molecular weight of 292.30 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-[4-(trifluoromethoxy)phenyl]hexan-2-ol is sourced from PubChem (CID 105088105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).