methyl 4-(3-ethoxy-2,2-dimethyl-3-oxopropyl)benzoate

C15H20O4 — CID 125467449

IUPACmethyl 4-(3-ethoxy-2,2-dimethyl-3-oxopropyl)benzoate
SMILESCCOC(=O)C(C)(C)Cc1ccc(C(=O)OC)cc1
InChIInChI=1S/C15H20O4/c1-5-19-14(17)15(2,3)10-11-6-8-12(9-7-11)13(16)18-4/h6-9H,5,10H2,1-4H3
InChIKeyFTUHJBMXQZXWJJ-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.61
Rot. Bonds5

About methyl 4-(3-ethoxy-2,2-dimethyl-3-oxopropyl)benzoate

methyl 4-(3-ethoxy-2,2-dimethyl-3-oxopropyl)benzoate (PubChem CID 125467449) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 4-(3-ethoxy-2,2-dimethyl-3-oxopropyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(3-ethoxy-2,2-dimethyl-3-oxopropyl)benzoate
PubChem CID125467449
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Namemethyl 4-(3-ethoxy-2,2-dimethyl-3-oxopropyl)benzoate
SMILESCCOC(=O)C(C)(C)Cc1ccc(C(=O)OC)cc1
InChIInChI=1S/C15H20O4/c1-5-19-14(17)15(2,3)10-11-6-8-12(9-7-11)13(16)18-4/h6-9H,5,10H2,1-4H3
InChIKeyFTUHJBMXQZXWJJ-UHFFFAOYSA-N
XLogP2.61
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-(3-ethoxy-2,2-dimethyl-3-oxopropyl)benzoate 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-methoxycarbonylphenyl)-2,2-dimethylpropanoic acid
CID 138111814
ethyl 2,2-dimethyl-3-(4-sulfanylphenyl)propanoate
CID 4114055
2-[4-(3-ethoxy-2,2-dimethyl-3-oxopropyl)phenyl]acetic acid
CID 45116515
ethyl 3-[4-(4-acetylphenyl)sulfanylphenyl]-2,2-dimethylpropanoate
CID 59753140
ethyl 3-[4-(2-bromoethyl)phenyl]-2,2-dimethylpropanoate
CID 19957550
methyl 4-[4-[3-ethoxy-2-formamido-2-[[4-(4-methoxycarbonylphenyl)phenyl]methyl]-3-oxopropyl]phenyl]benzoate
CID 102463057
ethyl 3-(3-ethylphenyl)-2,2-dimethylpropanoate
CID 129262497
methyl 3-(4-ethoxyphenyl)-2,2-dimethylpropanoate
CID 116927544
1-[4-(2,2-dimethylpropyl)phenyl]ethenol;methyl 4-(2,2-dimethylpropyl)benzoate
CID 158795008
diethyl 2-methyl-2-[(4-propanoylphenyl)methyl]propanedioate
CID 58271868
ethyl 2,2-dimethyl-3-thiophen-3-ylpropanoate
CID 176838352
methyl 4-[(4-aminophenyl)methyl]benzoate
CID 68972848

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-ethoxy-2,2-dimethyl-3-oxopropyl)benzoate?
The IUPAC name of methyl 4-(3-ethoxy-2,2-dimethyl-3-oxopropyl)benzoate (CID 125467449) is methyl 4-(3-ethoxy-2,2-dimethyl-3-oxopropyl)benzoate.
What is the SMILES notation for methyl 4-(3-ethoxy-2,2-dimethyl-3-oxopropyl)benzoate?
The canonical SMILES for methyl 4-(3-ethoxy-2,2-dimethyl-3-oxopropyl)benzoate is CCOC(=O)C(C)(C)Cc1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-(3-ethoxy-2,2-dimethyl-3-oxopropyl)benzoate?
The InChIKey is FTUHJBMXQZXWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-5-19-14(17)15(2,3)10-11-6-8-12(9-7-11)13(16)18-4/h6-9H,5,10H2,1-4H3.
What are the key properties of methyl 4-(3-ethoxy-2,2-dimethyl-3-oxopropyl)benzoate?
methyl 4-(3-ethoxy-2,2-dimethyl-3-oxopropyl)benzoate has a molecular weight of 264.32 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-ethoxy-2,2-dimethyl-3-oxopropyl)benzoate is sourced from PubChem (CID 125467449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).