oxan-4-yl-(2,4,6-trimethylphenyl)methanol

C15H22O2 — CID 62905510

IUPACoxan-4-yl-(2,4,6-trimethylphenyl)methanol
SMILESCc1cc(C)c(C(O)C2CCOCC2)c(C)c1
InChIInChI=1S/C15H22O2/c1-10-8-11(2)14(12(3)9-10)15(16)13-4-6-17-7-5-13/h8-9,13,15-16H,4-7H2,1-3H3
InChIKeyTUQAPBBYINZFIM-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.07
Rot. Bonds2

About oxan-4-yl-(2,4,6-trimethylphenyl)methanol

oxan-4-yl-(2,4,6-trimethylphenyl)methanol (PubChem CID 62905510) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is oxan-4-yl-(2,4,6-trimethylphenyl)methanol.

Molecular Properties

Compound Nameoxan-4-yl-(2,4,6-trimethylphenyl)methanol
PubChem CID62905510
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Nameoxan-4-yl-(2,4,6-trimethylphenyl)methanol
SMILESCc1cc(C)c(C(O)C2CCOCC2)c(C)c1
InChIInChI=1S/C15H22O2/c1-10-8-11(2)14(12(3)9-10)15(16)13-4-6-17-7-5-13/h8-9,13,15-16H,4-7H2,1-3H3
InChIKeyTUQAPBBYINZFIM-UHFFFAOYSA-N
XLogP3.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze oxan-4-yl-(2,4,6-trimethylphenyl)methanol 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

(R)-oxan-4-yl-(2,4,6-trimethylphenyl)methanamine;hydrochloride
CID 171248247
1-[(S)-oxan-4-yl-(2,4,6-trimethylphenyl)methyl]piperazine;dihydrochloride
CID 171277967
cyclopentyl-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679603
[(2-fluoro-4,6-dimethylphenyl)-(oxan-4-yl)methyl]hydrazine
CID 106884320
(2,5-dimethylfuran-3-yl)-(oxan-4-yl)methanol
CID 115797622
1-(oxolan-3-yl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine
CID 115714685
(5-methyl-1-benzofuran-2-yl)-(oxan-4-yl)methanol
CID 114723696
(2-fluoro-4,6-dimethylphenyl)-(3-methyloxan-4-yl)methanol
CID 114242074
1-(oxolan-3-yl)-2-(2,4,6-trimethylphenoxy)ethanol
CID 113449299
(4-methyl-3-pyridinyl)-(oxan-4-yl)methanol
CID 66272876
(3,5-dibromophenyl)-(oxan-4-yl)methanol
CID 107978364
3-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 65160613

Frequently Asked Questions

What is the IUPAC name of oxan-4-yl-(2,4,6-trimethylphenyl)methanol?
The IUPAC name of oxan-4-yl-(2,4,6-trimethylphenyl)methanol (CID 62905510) is oxan-4-yl-(2,4,6-trimethylphenyl)methanol.
What is the SMILES notation for oxan-4-yl-(2,4,6-trimethylphenyl)methanol?
The canonical SMILES for oxan-4-yl-(2,4,6-trimethylphenyl)methanol is Cc1cc(C)c(C(O)C2CCOCC2)c(C)c1.
What is the InChIKey of oxan-4-yl-(2,4,6-trimethylphenyl)methanol?
The InChIKey is TUQAPBBYINZFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-10-8-11(2)14(12(3)9-10)15(16)13-4-6-17-7-5-13/h8-9,13,15-16H,4-7H2,1-3H3.
What are the key properties of oxan-4-yl-(2,4,6-trimethylphenyl)methanol?
oxan-4-yl-(2,4,6-trimethylphenyl)methanol has a molecular weight of 234.34 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl-(2,4,6-trimethylphenyl)methanol is sourced from PubChem (CID 62905510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).