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

C14H17F3O3 — CID 65148770

IUPAC2-methyl-4-[[4-(trifluoromethoxy)phenyl]methyl]oxan-4-ol
SMILESCC1CC(O)(Cc2ccc(OC(F)(F)F)cc2)CCO1
InChIInChI=1S/C14H17F3O3/c1-10-8-13(18,6-7-19-10)9-11-2-4-12(5-3-11)20-14(15,16)17/h2-5,10,18H,6-9H2,1H3
InChIKeyDLCUSHOQSAHLMH-UHFFFAOYSA-N
MW290.28 g/mol
LogP3.06
Rot. Bonds3

About 2-methyl-4-[[4-(trifluoromethoxy)phenyl]methyl]oxan-4-ol

2-methyl-4-[[4-(trifluoromethoxy)phenyl]methyl]oxan-4-ol (PubChem CID 65148770) has the molecular formula C14H17F3O3 and a molecular weight of 290.28 g/mol. Its IUPAC name is 2-methyl-4-[[4-(trifluoromethoxy)phenyl]methyl]oxan-4-ol.

Molecular Properties

Compound Name2-methyl-4-[[4-(trifluoromethoxy)phenyl]methyl]oxan-4-ol
PubChem CID65148770
Molecular FormulaC14H17F3O3
Molecular Weight290.28 g/mol
Exact Mass290.11
IUPAC Name2-methyl-4-[[4-(trifluoromethoxy)phenyl]methyl]oxan-4-ol
SMILESCC1CC(O)(Cc2ccc(OC(F)(F)F)cc2)CCO1
InChIInChI=1S/C14H17F3O3/c1-10-8-13(18,6-7-19-10)9-11-2-4-12(5-3-11)20-14(15,16)17/h2-5,10,18H,6-9H2,1H3
InChIKeyDLCUSHOQSAHLMH-UHFFFAOYSA-N
XLogP3.06
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

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Related Compounds

4-[[4-(trifluoromethoxy)phenyl]methyl]oxan-4-ol
CID 65145878
3-amino-1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-ol
CID 80561273
2-methyl-3-[[[4-(trifluoromethoxy)phenyl]methylamino]methyl]oxolan-3-ol
CID 107268326
3,4-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine
CID 64733749
2-methyl-4-(thiophen-2-ylmethyl)oxan-4-ol
CID 65149523
4-[(5-bromo-2-pyridinyl)methyl]-2-methyloxan-4-ol
CID 104802016
3-(bromomethyl)-3-[[4-(trifluoromethoxy)phenyl]methyl]oxolane
CID 66042036
N-methyl-1-[1-[[4-(trifluoromethoxy)phenyl]methyl]cyclopropyl]methanamine
CID 66025755
1-[[1-(1-bromoethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)benzene
CID 106798588
1-(oxolan-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 65330397
2-tert-butyl-2-[[4-(trifluoromethoxy)phenoxy]methyl]oxirane
CID 86112791
1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxylic acid
CID 62740964

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[4-(trifluoromethoxy)phenyl]methyl]oxan-4-ol?
The IUPAC name of 2-methyl-4-[[4-(trifluoromethoxy)phenyl]methyl]oxan-4-ol (CID 65148770) is 2-methyl-4-[[4-(trifluoromethoxy)phenyl]methyl]oxan-4-ol.
What is the SMILES notation for 2-methyl-4-[[4-(trifluoromethoxy)phenyl]methyl]oxan-4-ol?
The canonical SMILES for 2-methyl-4-[[4-(trifluoromethoxy)phenyl]methyl]oxan-4-ol is CC1CC(O)(Cc2ccc(OC(F)(F)F)cc2)CCO1.
What is the InChIKey of 2-methyl-4-[[4-(trifluoromethoxy)phenyl]methyl]oxan-4-ol?
The InChIKey is DLCUSHOQSAHLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3O3/c1-10-8-13(18,6-7-19-10)9-11-2-4-12(5-3-11)20-14(15,16)17/h2-5,10,18H,6-9H2,1H3.
What are the key properties of 2-methyl-4-[[4-(trifluoromethoxy)phenyl]methyl]oxan-4-ol?
2-methyl-4-[[4-(trifluoromethoxy)phenyl]methyl]oxan-4-ol has a molecular weight of 290.28 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[4-(trifluoromethoxy)phenyl]methyl]oxan-4-ol is sourced from PubChem (CID 65148770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).