2,2,5,5-tetramethyl-3-[(3-methylphenyl)methyl]oxolan-3-ol

C16H24O2 — CID 79928455

IUPAC2,2,5,5-tetramethyl-3-[(3-methylphenyl)methyl]oxolan-3-ol
SMILESCc1cccc(CC2(O)CC(C)(C)OC2(C)C)c1
InChIInChI=1S/C16H24O2/c1-12-7-6-8-13(9-12)10-16(17)11-14(2,3)18-15(16,4)5/h6-9,17H,10-11H2,1-5H3
InChIKeyNXOKUTFQNHEPQP-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.25
Rot. Bonds2

About 2,2,5,5-tetramethyl-3-[(3-methylphenyl)methyl]oxolan-3-ol

2,2,5,5-tetramethyl-3-[(3-methylphenyl)methyl]oxolan-3-ol (PubChem CID 79928455) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-3-[(3-methylphenyl)methyl]oxolan-3-ol.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-3-[(3-methylphenyl)methyl]oxolan-3-ol
PubChem CID79928455
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name2,2,5,5-tetramethyl-3-[(3-methylphenyl)methyl]oxolan-3-ol
SMILESCc1cccc(CC2(O)CC(C)(C)OC2(C)C)c1
InChIInChI=1S/C16H24O2/c1-12-7-6-8-13(9-12)10-16(17)11-14(2,3)18-15(16,4)5/h6-9,17H,10-11H2,1-5H3
InChIKeyNXOKUTFQNHEPQP-UHFFFAOYSA-N
XLogP3.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-2,2,5,5-tetramethyloxolan-3-ol
CID 79928120
2,2,5,5-tetramethyl-3-[(4-propan-2-ylphenyl)methyl]oxolan-3-ol
CID 79928238
1-[(3-methylphenyl)methyl]cyclopropan-1-amine
CID 23106077
4,4-dimethyl-1-[(3-methylphenyl)methyl]cycloheptan-1-ol
CID 65085894
2,4,4-trimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-ol
CID 81314321
2,2-dimethyl-3-[(3-methylphenyl)methylamino]cyclobutan-1-ol
CID 112633293
1-[2-(3-methylphenyl)ethyl]cyclopropan-1-ol
CID 62668960
CID 59201849
CID 59201849
2-(3-methylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
CID 114622944
2,2-dimethyl-4-[(3-methylphenyl)methyl]oxane
CID 90245552
2,5,5-trimethyl-2-[(3-methylphenyl)methyl]-1,3-oxazinane
CID 117226801
[4,4-dimethyl-1-[(3-methylphenyl)methyl]cyclohexyl]methanamine
CID 65390376

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-3-[(3-methylphenyl)methyl]oxolan-3-ol?
The IUPAC name of 2,2,5,5-tetramethyl-3-[(3-methylphenyl)methyl]oxolan-3-ol (CID 79928455) is 2,2,5,5-tetramethyl-3-[(3-methylphenyl)methyl]oxolan-3-ol.
What is the SMILES notation for 2,2,5,5-tetramethyl-3-[(3-methylphenyl)methyl]oxolan-3-ol?
The canonical SMILES for 2,2,5,5-tetramethyl-3-[(3-methylphenyl)methyl]oxolan-3-ol is Cc1cccc(CC2(O)CC(C)(C)OC2(C)C)c1.
What is the InChIKey of 2,2,5,5-tetramethyl-3-[(3-methylphenyl)methyl]oxolan-3-ol?
The InChIKey is NXOKUTFQNHEPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-12-7-6-8-13(9-12)10-16(17)11-14(2,3)18-15(16,4)5/h6-9,17H,10-11H2,1-5H3.
What are the key properties of 2,2,5,5-tetramethyl-3-[(3-methylphenyl)methyl]oxolan-3-ol?
2,2,5,5-tetramethyl-3-[(3-methylphenyl)methyl]oxolan-3-ol has a molecular weight of 248.37 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-3-[(3-methylphenyl)methyl]oxolan-3-ol is sourced from PubChem (CID 79928455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).