4-[[4-(trifluoromethoxy)phenyl]methyl]oxan-4-ol

C13H15F3O3 — CID 65145878

IUPAC4-[[4-(trifluoromethoxy)phenyl]methyl]oxan-4-ol
SMILESOC1(Cc2ccc(OC(F)(F)F)cc2)CCOCC1
InChIInChI=1S/C13H15F3O3/c14-13(15,16)19-11-3-1-10(2-4-11)9-12(17)5-7-18-8-6-12/h1-4,17H,5-9H2
InChIKeyAOOFLZOWWSVYCU-UHFFFAOYSA-N
MW276.25 g/mol
LogP2.67
Rot. Bonds3

About 4-[[4-(trifluoromethoxy)phenyl]methyl]oxan-4-ol

4-[[4-(trifluoromethoxy)phenyl]methyl]oxan-4-ol (PubChem CID 65145878) has the molecular formula C13H15F3O3 and a molecular weight of 276.25 g/mol. Its IUPAC name is 4-[[4-(trifluoromethoxy)phenyl]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[4-(trifluoromethoxy)phenyl]methyl]oxan-4-ol
PubChem CID65145878
Molecular FormulaC13H15F3O3
Molecular Weight276.25 g/mol
Exact Mass276.10
IUPAC Name4-[[4-(trifluoromethoxy)phenyl]methyl]oxan-4-ol
SMILESOC1(Cc2ccc(OC(F)(F)F)cc2)CCOCC1
InChIInChI=1S/C13H15F3O3/c14-13(15,16)19-11-3-1-10(2-4-11)9-12(17)5-7-18-8-6-12/h1-4,17H,5-9H2
InChIKeyAOOFLZOWWSVYCU-UHFFFAOYSA-N
XLogP2.67
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[4-(trifluoromethoxy)phenyl]methyl]oxan-4-ol 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

2-methyl-4-[[4-(trifluoromethoxy)phenyl]methyl]oxan-4-ol
CID 65148770
3-(bromomethyl)-3-[[4-(trifluoromethoxy)phenyl]methyl]oxolane
CID 66042036
3-amino-1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-ol
CID 80561273
4-(aminomethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]oxane-4-carboxamide
CID 120920598
4-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]oxan-4-ol
CID 103645114
1-[4-hydroxy-4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 142237091
4-[(4-ethylphenoxy)methyl]oxan-4-ol
CID 126703265
1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxylic acid
CID 62740964
1-(oxan-4-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 65329809
N-methyl-1-[1-[[4-(trifluoromethoxy)phenyl]methyl]cyclopropyl]methanamine
CID 66025755
1-[[1-(1-bromoethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)benzene
CID 106798588
1-[4-(trifluoromethoxy)phenyl]cyclopropan-1-ol
CID 130058643

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(trifluoromethoxy)phenyl]methyl]oxan-4-ol?
The IUPAC name of 4-[[4-(trifluoromethoxy)phenyl]methyl]oxan-4-ol (CID 65145878) is 4-[[4-(trifluoromethoxy)phenyl]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[4-(trifluoromethoxy)phenyl]methyl]oxan-4-ol?
The canonical SMILES for 4-[[4-(trifluoromethoxy)phenyl]methyl]oxan-4-ol is OC1(Cc2ccc(OC(F)(F)F)cc2)CCOCC1.
What is the InChIKey of 4-[[4-(trifluoromethoxy)phenyl]methyl]oxan-4-ol?
The InChIKey is AOOFLZOWWSVYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O3/c14-13(15,16)19-11-3-1-10(2-4-11)9-12(17)5-7-18-8-6-12/h1-4,17H,5-9H2.
What are the key properties of 4-[[4-(trifluoromethoxy)phenyl]methyl]oxan-4-ol?
4-[[4-(trifluoromethoxy)phenyl]methyl]oxan-4-ol has a molecular weight of 276.25 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(trifluoromethoxy)phenyl]methyl]oxan-4-ol is sourced from PubChem (CID 65145878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).