(2-butanoyl-4-hydroxyphenyl) 2,2-dimethylpropanoate

C15H20O4 — CID 129105672

IUPAC(2-butanoyl-4-hydroxyphenyl) 2,2-dimethylpropanoate
SMILESCCCC(=O)c1cc(O)ccc1OC(=O)C(C)(C)C
InChIInChI=1S/C15H20O4/c1-5-6-12(17)11-9-10(16)7-8-13(11)19-14(18)15(2,3)4/h7-9,16H,5-6H2,1-4H3
InChIKeyIPCCTLDKSXOIBN-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.33
Rot. Bonds4

About (2-butanoyl-4-hydroxyphenyl) 2,2-dimethylpropanoate

(2-butanoyl-4-hydroxyphenyl) 2,2-dimethylpropanoate (PubChem CID 129105672) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2-butanoyl-4-hydroxyphenyl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(2-butanoyl-4-hydroxyphenyl) 2,2-dimethylpropanoate
PubChem CID129105672
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name(2-butanoyl-4-hydroxyphenyl) 2,2-dimethylpropanoate
SMILESCCCC(=O)c1cc(O)ccc1OC(=O)C(C)(C)C
InChIInChI=1S/C15H20O4/c1-5-6-12(17)11-9-10(16)7-8-13(11)19-14(18)15(2,3)4/h7-9,16H,5-6H2,1-4H3
InChIKeyIPCCTLDKSXOIBN-UHFFFAOYSA-N
XLogP3.33
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (2-butanoyl-4-hydroxyphenyl) 2,2-dimethylpropanoate 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-(5-hydroxy-2-methoxyphenyl)propan-1-one
CID 15574178
ethyl 2-(2-butanoyl-4-hydroxyphenyl)acetate
CID 42629411
5-bromo-2-(2,2-dimethylpropanoyloxy)benzoic acid
CID 54854192
ethyl 5-(bromomethyl)-2-(2,2-dimethylpropanoyloxy)benzoate
CID 139792676
3-(2,2-dimethylpropanoyloxy)-4-methylbenzoic acid
CID 174180006
ethyl 2-(2,2-dimethylpropanoyloxy)benzoate
CID 71314327
(7-hydroxynaphthalen-1-yl) 2,2-dimethylbutanoate
CID 57120356
1-(5-methyl-2-propan-2-yloxyphenyl)butan-1-one
CID 82052059
1-(2,5-dihydroxyphenyl)dodecan-1-one
CID 14443793
2-(2-tert-butyl-4-hydroxyphenoxy)carbonyl-2-methylhexanoic acid
CID 175480800
[2-(2,2-dimethylpropanoyloxy)phenyl] undecanoate
CID 90024650
1-(5-chloro-2-propan-2-yloxyphenyl)butan-1-one
CID 82051215

Frequently Asked Questions

What is the IUPAC name of (2-butanoyl-4-hydroxyphenyl) 2,2-dimethylpropanoate?
The IUPAC name of (2-butanoyl-4-hydroxyphenyl) 2,2-dimethylpropanoate (CID 129105672) is (2-butanoyl-4-hydroxyphenyl) 2,2-dimethylpropanoate.
What is the SMILES notation for (2-butanoyl-4-hydroxyphenyl) 2,2-dimethylpropanoate?
The canonical SMILES for (2-butanoyl-4-hydroxyphenyl) 2,2-dimethylpropanoate is CCCC(=O)c1cc(O)ccc1OC(=O)C(C)(C)C.
What is the InChIKey of (2-butanoyl-4-hydroxyphenyl) 2,2-dimethylpropanoate?
The InChIKey is IPCCTLDKSXOIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-5-6-12(17)11-9-10(16)7-8-13(11)19-14(18)15(2,3)4/h7-9,16H,5-6H2,1-4H3.
What are the key properties of (2-butanoyl-4-hydroxyphenyl) 2,2-dimethylpropanoate?
(2-butanoyl-4-hydroxyphenyl) 2,2-dimethylpropanoate has a molecular weight of 264.32 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butanoyl-4-hydroxyphenyl) 2,2-dimethylpropanoate is sourced from PubChem (CID 129105672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).