1-(1-methoxycyclobutyl)-2-[4-(trifluoromethoxy)phenyl]ethanol

C14H17F3O3 — CID 116710608

IUPAC1-(1-methoxycyclobutyl)-2-[4-(trifluoromethoxy)phenyl]ethanol
SMILESCOC1(C(O)Cc2ccc(OC(F)(F)F)cc2)CCC1
InChIInChI=1S/C14H17F3O3/c1-19-13(7-2-8-13)12(18)9-10-3-5-11(6-4-10)20-14(15,16)17/h3-6,12,18H,2,7-9H2,1H3
InChIKeyGLWDJSALBMQDDH-UHFFFAOYSA-N
MW290.28 g/mol
LogP3.06
Rot. Bonds5

About 1-(1-methoxycyclobutyl)-2-[4-(trifluoromethoxy)phenyl]ethanol

1-(1-methoxycyclobutyl)-2-[4-(trifluoromethoxy)phenyl]ethanol (PubChem CID 116710608) has the molecular formula C14H17F3O3 and a molecular weight of 290.28 g/mol. Its IUPAC name is 1-(1-methoxycyclobutyl)-2-[4-(trifluoromethoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-(1-methoxycyclobutyl)-2-[4-(trifluoromethoxy)phenyl]ethanol
PubChem CID116710608
Molecular FormulaC14H17F3O3
Molecular Weight290.28 g/mol
Exact Mass290.11
IUPAC Name1-(1-methoxycyclobutyl)-2-[4-(trifluoromethoxy)phenyl]ethanol
SMILESCOC1(C(O)Cc2ccc(OC(F)(F)F)cc2)CCC1
InChIInChI=1S/C14H17F3O3/c1-19-13(7-2-8-13)12(18)9-10-3-5-11(6-4-10)20-14(15,16)17/h3-6,12,18H,2,7-9H2,1H3
InChIKeyGLWDJSALBMQDDH-UHFFFAOYSA-N
XLogP3.06
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-methoxycyclobutyl)-2-[4-(trifluoromethoxy)phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-methoxycyclobutyl)-3-[4-(trifluoromethoxy)phenyl]propan-2-ol
CID 103560075
2-(4-fluorophenyl)-1-(1-methoxycyclopentyl)ethanol
CID 104610295
1-(1-methoxycyclobutyl)-2-phenylethanol
CID 116710482
4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-ol
CID 62606117
5-methoxy-1-[4-(trifluoromethoxy)phenyl]hexan-2-ol
CID 105088105
1-(1-ethylcyclopentyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine
CID 115843446
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-(1-methylcyclopentyl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105296915
4,4,4-trifluoro-1-(1-methoxycyclobutyl)butan-1-ol
CID 116710452
3-propyl-1-[4-(trifluoromethoxy)phenyl]hexan-2-ol
CID 115787256

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclobutyl)-2-[4-(trifluoromethoxy)phenyl]ethanol?
The IUPAC name of 1-(1-methoxycyclobutyl)-2-[4-(trifluoromethoxy)phenyl]ethanol (CID 116710608) is 1-(1-methoxycyclobutyl)-2-[4-(trifluoromethoxy)phenyl]ethanol.
What is the SMILES notation for 1-(1-methoxycyclobutyl)-2-[4-(trifluoromethoxy)phenyl]ethanol?
The canonical SMILES for 1-(1-methoxycyclobutyl)-2-[4-(trifluoromethoxy)phenyl]ethanol is COC1(C(O)Cc2ccc(OC(F)(F)F)cc2)CCC1.
What is the InChIKey of 1-(1-methoxycyclobutyl)-2-[4-(trifluoromethoxy)phenyl]ethanol?
The InChIKey is GLWDJSALBMQDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3O3/c1-19-13(7-2-8-13)12(18)9-10-3-5-11(6-4-10)20-14(15,16)17/h3-6,12,18H,2,7-9H2,1H3.
What are the key properties of 1-(1-methoxycyclobutyl)-2-[4-(trifluoromethoxy)phenyl]ethanol?
1-(1-methoxycyclobutyl)-2-[4-(trifluoromethoxy)phenyl]ethanol has a molecular weight of 290.28 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclobutyl)-2-[4-(trifluoromethoxy)phenyl]ethanol is sourced from PubChem (CID 116710608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).