4-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-ol

C17H26O2 — CID 115781964

IUPAC4-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-ol
SMILESCc1cc(C)c(CC(O)CCC2CCCO2)c(C)c1
InChIInChI=1S/C17H26O2/c1-12-9-13(2)17(14(3)10-12)11-15(18)6-7-16-5-4-8-19-16/h9-10,15-16,18H,4-8,11H2,1-3H3
InChIKeyZINJKQYTUDQEAI-UHFFFAOYSA-N
MW262.39 g/mol
LogP3.47
Rot. Bonds5

About 4-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-ol

4-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-ol (PubChem CID 115781964) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 4-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-ol.

Molecular Properties

Compound Name4-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-ol
PubChem CID115781964
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name4-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-ol
SMILESCc1cc(C)c(CC(O)CCC2CCCO2)c(C)c1
InChIInChI=1S/C17H26O2/c1-12-9-13(2)17(14(3)10-12)11-15(18)6-7-16-5-4-8-19-16/h9-10,15-16,18H,4-8,11H2,1-3H3
InChIKeyZINJKQYTUDQEAI-UHFFFAOYSA-N
XLogP3.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 65160613
1-(3,4-dimethylphenyl)-4-(oxolan-2-yl)butan-2-ol
CID 65167117
1-(5-methyl-2-pyridinyl)-4-(oxolan-2-yl)butan-2-ol
CID 66461132
N-methyl-4-(oxan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-amine
CID 115829168
4-(oxolan-2-yl)-1-phenylbutan-2-ol
CID 65162186
1-(oxolan-2-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 55085081
1-(2,4-dimethylphenyl)-4-(oxolan-2-yl)butan-1-ol
CID 65161655
1-(5-bromo-2-methoxyphenyl)-4-(oxolan-2-yl)butan-2-ol
CID 115779296
[4-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)butyl]hydrazine
CID 105314099
1-(3,5-dimethylphenyl)-5-(oxolan-2-yl)pentan-2-amine
CID 65164754
1-(5-bromo-3-pyridinyl)-4-(oxolan-2-yl)butan-2-ol
CID 115833432
1-(4-methyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)butan-2-ol
CID 115824182

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-ol?
The IUPAC name of 4-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-ol (CID 115781964) is 4-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-ol.
What is the SMILES notation for 4-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-ol?
The canonical SMILES for 4-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-ol is Cc1cc(C)c(CC(O)CCC2CCCO2)c(C)c1.
What is the InChIKey of 4-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-ol?
The InChIKey is ZINJKQYTUDQEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-12-9-13(2)17(14(3)10-12)11-15(18)6-7-16-5-4-8-19-16/h9-10,15-16,18H,4-8,11H2,1-3H3.
What are the key properties of 4-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-ol?
4-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-ol has a molecular weight of 262.39 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-ol is sourced from PubChem (CID 115781964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).