3-methoxy-1-[[4-(trifluoromethyl)phenyl]methyl]cyclobutan-1-ol

C13H15F3O2 — CID 106823679

IUPAC3-methoxy-1-[[4-(trifluoromethyl)phenyl]methyl]cyclobutan-1-ol
SMILESCOC1CC(O)(Cc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C13H15F3O2/c1-18-11-7-12(17,8-11)6-9-2-4-10(5-3-9)13(14,15)16/h2-5,11,17H,6-8H2,1H3
InChIKeyNOUPKHRFKKOJAH-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.79
Rot. Bonds3

About 3-methoxy-1-[[4-(trifluoromethyl)phenyl]methyl]cyclobutan-1-ol

3-methoxy-1-[[4-(trifluoromethyl)phenyl]methyl]cyclobutan-1-ol (PubChem CID 106823679) has the molecular formula C13H15F3O2 and a molecular weight of 260.25 g/mol. Its IUPAC name is 3-methoxy-1-[[4-(trifluoromethyl)phenyl]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-methoxy-1-[[4-(trifluoromethyl)phenyl]methyl]cyclobutan-1-ol
PubChem CID106823679
Molecular FormulaC13H15F3O2
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Name3-methoxy-1-[[4-(trifluoromethyl)phenyl]methyl]cyclobutan-1-ol
SMILESCOC1CC(O)(Cc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C13H15F3O2/c1-18-11-7-12(17,8-11)6-9-2-4-10(5-3-9)13(14,15)16/h2-5,11,17H,6-8H2,1H3
InChIKeyNOUPKHRFKKOJAH-UHFFFAOYSA-N
XLogP2.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[4-(trifluoromethyl)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 65145739
1-[(3-bromo-4-fluorophenyl)methyl]-3-methoxycyclobutan-1-ol
CID 106823572
3-ethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclopentan-1-ol
CID 65154318
3-amino-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol
CID 80562098
2,4,4-trimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol
CID 81304989
2,3-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol
CID 65153585
1-[[4-(1,1-difluoroethyl)phenyl]methyl]cyclopropan-1-ol
CID 117302989
1-[(3,4-dimethylphenyl)methyl]-3-methoxycyclohexan-1-ol
CID 106873859
3-[(4-tert-butylphenyl)methyl]-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-ol
CID 171963888
4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 62620107
2-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 62619930
N-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]cyclopropyl]ethanamine
CID 106797601

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[[4-(trifluoromethyl)phenyl]methyl]cyclobutan-1-ol?
The IUPAC name of 3-methoxy-1-[[4-(trifluoromethyl)phenyl]methyl]cyclobutan-1-ol (CID 106823679) is 3-methoxy-1-[[4-(trifluoromethyl)phenyl]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-methoxy-1-[[4-(trifluoromethyl)phenyl]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-methoxy-1-[[4-(trifluoromethyl)phenyl]methyl]cyclobutan-1-ol is COC1CC(O)(Cc2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 3-methoxy-1-[[4-(trifluoromethyl)phenyl]methyl]cyclobutan-1-ol?
The InChIKey is NOUPKHRFKKOJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O2/c1-18-11-7-12(17,8-11)6-9-2-4-10(5-3-9)13(14,15)16/h2-5,11,17H,6-8H2,1H3.
What are the key properties of 3-methoxy-1-[[4-(trifluoromethyl)phenyl]methyl]cyclobutan-1-ol?
3-methoxy-1-[[4-(trifluoromethyl)phenyl]methyl]cyclobutan-1-ol has a molecular weight of 260.25 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[[4-(trifluoromethyl)phenyl]methyl]cyclobutan-1-ol is sourced from PubChem (CID 106823679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).