1-(2,4-dimethylphenyl)-4-(oxolan-2-yl)butan-1-ol

C16H24O2 — CID 65161655

IUPAC1-(2,4-dimethylphenyl)-4-(oxolan-2-yl)butan-1-ol
SMILESCc1ccc(C(O)CCCC2CCCO2)c(C)c1
InChIInChI=1S/C16H24O2/c1-12-8-9-15(13(2)11-12)16(17)7-3-5-14-6-4-10-18-14/h8-9,11,14,16-17H,3-7,10H2,1-2H3
InChIKeyJUEJNKGBBCIOIP-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.69
Rot. Bonds5

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

1-(2,4-dimethylphenyl)-4-(oxolan-2-yl)butan-1-ol (PubChem CID 65161655) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-4-(oxolan-2-yl)butan-1-ol.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-4-(oxolan-2-yl)butan-1-ol
PubChem CID65161655
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-(2,4-dimethylphenyl)-4-(oxolan-2-yl)butan-1-ol
SMILESCc1ccc(C(O)CCCC2CCCO2)c(C)c1
InChIInChI=1S/C16H24O2/c1-12-8-9-15(13(2)11-12)16(17)7-3-5-14-6-4-10-18-14/h8-9,11,14,16-17H,3-7,10H2,1-2H3
InChIKeyJUEJNKGBBCIOIP-UHFFFAOYSA-N
XLogP3.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,4-dimethylphenyl)-4-(oxolan-2-yl)butan-1-ol 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

1-(2-methoxy-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65158286
1-(2-ethoxy-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65158041
1-(4-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65166872
3-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 65160613
1-(2,3-difluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 107516231
1-(2-methoxy-5-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 104993086
1-(2,4-dimethylphenyl)-2-(oxolan-2-yl)ethanamine
CID 62800857
[4-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)butyl]hydrazine
CID 105314099
1-(2-ethoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-ol
CID 63953787
1-(2-bromo-5-methoxyphenyl)-4-(oxolan-2-yl)butan-1-ol
CID 105104739
4-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-ol
CID 115781964
[1-(2-fluoro-4-methylphenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314262

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-4-(oxolan-2-yl)butan-1-ol?
The IUPAC name of 1-(2,4-dimethylphenyl)-4-(oxolan-2-yl)butan-1-ol (CID 65161655) is 1-(2,4-dimethylphenyl)-4-(oxolan-2-yl)butan-1-ol.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-4-(oxolan-2-yl)butan-1-ol?
The canonical SMILES for 1-(2,4-dimethylphenyl)-4-(oxolan-2-yl)butan-1-ol is Cc1ccc(C(O)CCCC2CCCO2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-4-(oxolan-2-yl)butan-1-ol?
The InChIKey is JUEJNKGBBCIOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-12-8-9-15(13(2)11-12)16(17)7-3-5-14-6-4-10-18-14/h8-9,11,14,16-17H,3-7,10H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)-4-(oxolan-2-yl)butan-1-ol?
1-(2,4-dimethylphenyl)-4-(oxolan-2-yl)butan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-4-(oxolan-2-yl)butan-1-ol is sourced from PubChem (CID 65161655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).