2-methyl-4-[4-(oxan-2-yl)phenoxy]butan-2-ol

C16H24O3 — CID 118011176

IUPAC2-methyl-4-[4-(oxan-2-yl)phenoxy]butan-2-ol
SMILESCC(C)(O)CCOc1ccc(C2CCCCO2)cc1
InChIInChI=1S/C16H24O3/c1-16(2,17)10-12-18-14-8-6-13(7-9-14)15-5-3-4-11-19-15/h6-9,15,17H,3-5,10-12H2,1-2H3
InChIKeyUYFYBZQGWJQBBR-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.47
Rot. Bonds5

About 2-methyl-4-[4-(oxan-2-yl)phenoxy]butan-2-ol

2-methyl-4-[4-(oxan-2-yl)phenoxy]butan-2-ol (PubChem CID 118011176) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-methyl-4-[4-(oxan-2-yl)phenoxy]butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-[4-(oxan-2-yl)phenoxy]butan-2-ol
PubChem CID118011176
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name2-methyl-4-[4-(oxan-2-yl)phenoxy]butan-2-ol
SMILESCC(C)(O)CCOc1ccc(C2CCCCO2)cc1
InChIInChI=1S/C16H24O3/c1-16(2,17)10-12-18-14-8-6-13(7-9-14)15-5-3-4-11-19-15/h6-9,15,17H,3-5,10-12H2,1-2H3
InChIKeyUYFYBZQGWJQBBR-UHFFFAOYSA-N
XLogP3.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-4-[4-(oxan-2-yl)phenoxy]butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(oxan-2-yl)phenoxy]butan-2-ol?
The IUPAC name of 2-methyl-4-[4-(oxan-2-yl)phenoxy]butan-2-ol (CID 118011176) is 2-methyl-4-[4-(oxan-2-yl)phenoxy]butan-2-ol.
What is the SMILES notation for 2-methyl-4-[4-(oxan-2-yl)phenoxy]butan-2-ol?
The canonical SMILES for 2-methyl-4-[4-(oxan-2-yl)phenoxy]butan-2-ol is CC(C)(O)CCOc1ccc(C2CCCCO2)cc1.
What is the InChIKey of 2-methyl-4-[4-(oxan-2-yl)phenoxy]butan-2-ol?
The InChIKey is UYFYBZQGWJQBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-16(2,17)10-12-18-14-8-6-13(7-9-14)15-5-3-4-11-19-15/h6-9,15,17H,3-5,10-12H2,1-2H3.
What are the key properties of 2-methyl-4-[4-(oxan-2-yl)phenoxy]butan-2-ol?
2-methyl-4-[4-(oxan-2-yl)phenoxy]butan-2-ol has a molecular weight of 264.37 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(oxan-2-yl)phenoxy]butan-2-ol is sourced from PubChem (CID 118011176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).