2-(4-methoxyphenyl)propan-2-yl 2,2-dimethylbutanoate

C16H24O3 — CID 20813224

IUPAC2-(4-methoxyphenyl)propan-2-yl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC(C)(C)c1ccc(OC)cc1
InChIInChI=1S/C16H24O3/c1-7-15(2,3)14(17)19-16(4,5)12-8-10-13(18-6)11-9-12/h8-11H,7H2,1-6H3
InChIKeyGBTKDEAETHZHPA-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.91
Rot. Bonds5

About 2-(4-methoxyphenyl)propan-2-yl 2,2-dimethylbutanoate

2-(4-methoxyphenyl)propan-2-yl 2,2-dimethylbutanoate (PubChem CID 20813224) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)propan-2-yl 2,2-dimethylbutanoate.

Molecular Properties

Compound Name2-(4-methoxyphenyl)propan-2-yl 2,2-dimethylbutanoate
PubChem CID20813224
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name2-(4-methoxyphenyl)propan-2-yl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC(C)(C)c1ccc(OC)cc1
InChIInChI=1S/C16H24O3/c1-7-15(2,3)14(17)19-16(4,5)12-8-10-13(18-6)11-9-12/h8-11H,7H2,1-6H3
InChIKeyGBTKDEAETHZHPA-UHFFFAOYSA-N
XLogP3.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-methoxyphenyl)propan-2-yl 2,2-dimethylbutanoate 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

2-phenylpropan-2-yl 2,2-dimethylbutanoate
CID 18730969
2-[4-(dimethylamino)phenyl]propan-2-yl 2,2-dimethylbutanoate
CID 20813215
2-(4-trimethylsilylphenyl)propan-2-yl 2,2-dimethylbutanoate
CID 177286394
2-(4-methoxyphenyl)butan-2-ol
CID 10307904
[4-(2-hydroxypropan-2-yl)phenyl] 2,2-dimethylbutanoate
CID 123232470
methyl 2-(4-methoxyphenyl)-2-(propylamino)butanoate
CID 54918211
ethyl 2-amino-2-(4-methoxyphenyl)butanoate
CID 5027941
1-(4-methoxyphenyl)-4,4-dimethylhexan-3-one
CID 114974365
2-(4-ethoxyphenyl)propan-2-yl acetate
CID 129179659
2-fluoro-3-hydroxy-2-(4-methoxyphenyl)propanoic acid
CID 178069043
(E)-1-(4-methoxyphenyl)-4,4-dimethylhex-1-en-3-one
CID 153307172
methane;methyl 2,2-dimethylbutanoate
CID 161256043

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)propan-2-yl 2,2-dimethylbutanoate?
The IUPAC name of 2-(4-methoxyphenyl)propan-2-yl 2,2-dimethylbutanoate (CID 20813224) is 2-(4-methoxyphenyl)propan-2-yl 2,2-dimethylbutanoate.
What is the SMILES notation for 2-(4-methoxyphenyl)propan-2-yl 2,2-dimethylbutanoate?
The canonical SMILES for 2-(4-methoxyphenyl)propan-2-yl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC(C)(C)c1ccc(OC)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)propan-2-yl 2,2-dimethylbutanoate?
The InChIKey is GBTKDEAETHZHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-7-15(2,3)14(17)19-16(4,5)12-8-10-13(18-6)11-9-12/h8-11H,7H2,1-6H3.
What are the key properties of 2-(4-methoxyphenyl)propan-2-yl 2,2-dimethylbutanoate?
2-(4-methoxyphenyl)propan-2-yl 2,2-dimethylbutanoate has a molecular weight of 264.37 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)propan-2-yl 2,2-dimethylbutanoate is sourced from PubChem (CID 20813224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).