3-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenoxy]butan-1-ol

C15H24O3 — CID 139638560

IUPAC3-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenoxy]butan-1-ol
SMILESCC(C)(C)Oc1ccc(OC(C)(C)CCO)cc1
InChIInChI=1S/C15H24O3/c1-14(2,3)17-12-6-8-13(9-7-12)18-15(4,5)10-11-16/h6-9,16H,10-11H2,1-5H3
InChIKeyBHRLUQVIXGKXTI-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.40
Rot. Bonds5

About 3-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenoxy]butan-1-ol

3-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenoxy]butan-1-ol (PubChem CID 139638560) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 3-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenoxy]butan-1-ol.

Molecular Properties

Compound Name3-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenoxy]butan-1-ol
PubChem CID139638560
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name3-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenoxy]butan-1-ol
SMILESCC(C)(C)Oc1ccc(OC(C)(C)CCO)cc1
InChIInChI=1S/C15H24O3/c1-14(2,3)17-12-6-8-13(9-7-12)18-15(4,5)10-11-16/h6-9,16H,10-11H2,1-5H3
InChIKeyBHRLUQVIXGKXTI-UHFFFAOYSA-N
XLogP3.40
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenoxy]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

3-[4-[2-[4-(4-hydroxy-2-methylbutan-2-yl)oxyphenyl]propan-2-yl]phenoxy]-3-methylbutan-1-ol
CID 142891336
3-methyl-3-phenoxybutan-1-ol
CID 59317089
3-methyl-3-pyridin-4-yloxybutan-1-ol
CID 139639068
3-methyl-3-(4-methylsulfonylphenoxy)butan-1-ol
CID 139638640
3-(4-ethylsulfinylphenoxy)-3-methylbutan-1-ol
CID 139639259
methyl 4-(4-hydroxy-2-methylbutan-2-yl)oxybenzenesulfonate
CID 139638904
1-(2-methylbutan-2-yloxy)-4-[(2-methylpropan-2-yl)oxy]benzene
CID 167138182
N-tert-butyl-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide
CID 134534514
N-ethyl-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzenesulfinamide
CID 139639198
4-[(2-methylpropan-2-yl)oxy]phenol
CID 2773621
bis(4-[(2-methylpropan-2-yl)oxy]phenol);zirconium
CID 158294548
4-(1-hydroxy-2-methylpropan-2-yl)oxyphenol
CID 67201302

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenoxy]butan-1-ol?
The IUPAC name of 3-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenoxy]butan-1-ol (CID 139638560) is 3-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenoxy]butan-1-ol.
What is the SMILES notation for 3-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenoxy]butan-1-ol?
The canonical SMILES for 3-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenoxy]butan-1-ol is CC(C)(C)Oc1ccc(OC(C)(C)CCO)cc1.
What is the InChIKey of 3-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenoxy]butan-1-ol?
The InChIKey is BHRLUQVIXGKXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-14(2,3)17-12-6-8-13(9-7-12)18-15(4,5)10-11-16/h6-9,16H,10-11H2,1-5H3.
What are the key properties of 3-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenoxy]butan-1-ol?
3-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenoxy]butan-1-ol has a molecular weight of 252.35 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenoxy]butan-1-ol is sourced from PubChem (CID 139638560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).