1-(1-methoxycyclobutyl)-3-[4-(trifluoromethoxy)phenyl]propan-2-ol

C15H19F3O3 — CID 103560075

IUPAC1-(1-methoxycyclobutyl)-3-[4-(trifluoromethoxy)phenyl]propan-2-ol
SMILESCOC1(CC(O)Cc2ccc(OC(F)(F)F)cc2)CCC1
InChIInChI=1S/C15H19F3O3/c1-20-14(7-2-8-14)10-12(19)9-11-3-5-13(6-4-11)21-15(16,17)18/h3-6,12,19H,2,7-10H2,1H3
InChIKeyOARGQWIQJORUBH-UHFFFAOYSA-N
MW304.31 g/mol
LogP3.45
Rot. Bonds6

About 1-(1-methoxycyclobutyl)-3-[4-(trifluoromethoxy)phenyl]propan-2-ol

1-(1-methoxycyclobutyl)-3-[4-(trifluoromethoxy)phenyl]propan-2-ol (PubChem CID 103560075) has the molecular formula C15H19F3O3 and a molecular weight of 304.31 g/mol. Its IUPAC name is 1-(1-methoxycyclobutyl)-3-[4-(trifluoromethoxy)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-(1-methoxycyclobutyl)-3-[4-(trifluoromethoxy)phenyl]propan-2-ol
PubChem CID103560075
Molecular FormulaC15H19F3O3
Molecular Weight304.31 g/mol
Exact Mass304.13
IUPAC Name1-(1-methoxycyclobutyl)-3-[4-(trifluoromethoxy)phenyl]propan-2-ol
SMILESCOC1(CC(O)Cc2ccc(OC(F)(F)F)cc2)CCC1
InChIInChI=1S/C15H19F3O3/c1-20-14(7-2-8-14)10-12(19)9-11-3-5-13(6-4-11)21-15(16,17)18/h3-6,12,19H,2,7-10H2,1H3
InChIKeyOARGQWIQJORUBH-UHFFFAOYSA-N
XLogP3.45
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methoxycyclobutyl)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 116710608
4-cyclopentyl-1-[4-(trifluoromethoxy)phenyl]butan-2-ol
CID 115787298
4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-ol
CID 62606117
5-methoxy-1-[4-(trifluoromethoxy)phenyl]hexan-2-ol
CID 105088105
1-(3-bromo-4-methoxyphenyl)-3-(1-methoxycyclobutyl)propan-2-ol
CID 103560049
1-cyclopentyl-3-[4-(trifluoromethoxy)phenyl]propan-2-ol
CID 115787261
[1-(1-methylcyclopentyl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105296915
[1-[[4-(trifluoromethoxy)phenyl]methoxy]cyclopentyl]methanamine
CID 65051034
1-(1-ethylcyclopentyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine
CID 115843446
1-cyclopropyl-1-methoxy-3-[4-(trifluoromethoxy)phenyl]propan-2-ol
CID 116712645
3-propyl-1-[4-(trifluoromethoxy)phenyl]hexan-2-ol
CID 115787256
(2S)-2-methoxy-3-[4-[3-[4-(trifluoromethoxy)phenoxy]propoxy]phenyl]propanoic acid
CID 58822828

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclobutyl)-3-[4-(trifluoromethoxy)phenyl]propan-2-ol?
The IUPAC name of 1-(1-methoxycyclobutyl)-3-[4-(trifluoromethoxy)phenyl]propan-2-ol (CID 103560075) is 1-(1-methoxycyclobutyl)-3-[4-(trifluoromethoxy)phenyl]propan-2-ol.
What is the SMILES notation for 1-(1-methoxycyclobutyl)-3-[4-(trifluoromethoxy)phenyl]propan-2-ol?
The canonical SMILES for 1-(1-methoxycyclobutyl)-3-[4-(trifluoromethoxy)phenyl]propan-2-ol is COC1(CC(O)Cc2ccc(OC(F)(F)F)cc2)CCC1.
What is the InChIKey of 1-(1-methoxycyclobutyl)-3-[4-(trifluoromethoxy)phenyl]propan-2-ol?
The InChIKey is OARGQWIQJORUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3O3/c1-20-14(7-2-8-14)10-12(19)9-11-3-5-13(6-4-11)21-15(16,17)18/h3-6,12,19H,2,7-10H2,1H3.
What are the key properties of 1-(1-methoxycyclobutyl)-3-[4-(trifluoromethoxy)phenyl]propan-2-ol?
1-(1-methoxycyclobutyl)-3-[4-(trifluoromethoxy)phenyl]propan-2-ol has a molecular weight of 304.31 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclobutyl)-3-[4-(trifluoromethoxy)phenyl]propan-2-ol is sourced from PubChem (CID 103560075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).