4-methyl-2-(2,4,6-trimethylphenyl)oxan-4-ol

C15H22O2 — CID 16655529

IUPAC4-methyl-2-(2,4,6-trimethylphenyl)oxan-4-ol
SMILESCc1cc(C)c(C2CC(C)(O)CCO2)c(C)c1
InChIInChI=1S/C15H22O2/c1-10-7-11(2)14(12(3)8-10)13-9-15(4,16)5-6-17-13/h7-8,13,16H,5-6,9H2,1-4H3
InChIKeyYLPIBCYOUJVWRS-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.21
Rot. Bonds1

About 4-methyl-2-(2,4,6-trimethylphenyl)oxan-4-ol

4-methyl-2-(2,4,6-trimethylphenyl)oxan-4-ol (PubChem CID 16655529) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-methyl-2-(2,4,6-trimethylphenyl)oxan-4-ol.

Molecular Properties

Compound Name4-methyl-2-(2,4,6-trimethylphenyl)oxan-4-ol
PubChem CID16655529
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name4-methyl-2-(2,4,6-trimethylphenyl)oxan-4-ol
SMILESCc1cc(C)c(C2CC(C)(O)CCO2)c(C)c1
InChIInChI=1S/C15H22O2/c1-10-7-11(2)14(12(3)8-10)13-9-15(4,16)5-6-17-13/h7-8,13,16H,5-6,9H2,1-4H3
InChIKeyYLPIBCYOUJVWRS-UHFFFAOYSA-N
XLogP3.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-methyl-2-phenyloxan-4-ol
CID 121291453
5-ethyl-5-methyl-2-(2,4,6-trimethylphenyl)-1,4-oxazepane
CID 106177904
5-methyl-2-(2,4,6-trimethylphenyl)-1,4-oxazepane
CID 83188663
(2S,4R)-4-methyl-2-propyloxan-4-ol
CID 45083243
3-methyl-1-[(2,4,6-trimethylphenyl)methyl]piperidin-3-ol
CID 113343970
4-methyl-2-(2-methylpropyl)oxan-4-ol
CID 3017432
3-(2-fluoro-4,6-dimethylphenyl)-2-methyloxolan-3-ol
CID 106880528
3-(2-chloro-4,6-dimethylphenyl)-7-methyl-8-oxa-1-azaspiro[4.5]decane-2,4-dione
CID 91132647
(4R,5R)-2,2-dimethyl-4,5-bis(2,4,6-trimethylphenyl)-1,3-dioxolane
CID 10569042
9-(2,4,6-trimethylphenyl)-8-oxa-11-azaspiro[5.6]dodecane
CID 103968892
[1-(aminomethyl)-2-(2,4,6-trimethylphenyl)cyclopropyl]methanol
CID 63041822
1-methyl-2-(2,4,6-trimethylphenyl)cyclopropane-1-carbonitrile
CID 116841989

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2,4,6-trimethylphenyl)oxan-4-ol?
The IUPAC name of 4-methyl-2-(2,4,6-trimethylphenyl)oxan-4-ol (CID 16655529) is 4-methyl-2-(2,4,6-trimethylphenyl)oxan-4-ol.
What is the SMILES notation for 4-methyl-2-(2,4,6-trimethylphenyl)oxan-4-ol?
The canonical SMILES for 4-methyl-2-(2,4,6-trimethylphenyl)oxan-4-ol is Cc1cc(C)c(C2CC(C)(O)CCO2)c(C)c1.
What is the InChIKey of 4-methyl-2-(2,4,6-trimethylphenyl)oxan-4-ol?
The InChIKey is YLPIBCYOUJVWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-10-7-11(2)14(12(3)8-10)13-9-15(4,16)5-6-17-13/h7-8,13,16H,5-6,9H2,1-4H3.
What are the key properties of 4-methyl-2-(2,4,6-trimethylphenyl)oxan-4-ol?
4-methyl-2-(2,4,6-trimethylphenyl)oxan-4-ol has a molecular weight of 234.34 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2,4,6-trimethylphenyl)oxan-4-ol is sourced from PubChem (CID 16655529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).