ethyl 2-(4-methoxyphenyl)-3-methylbutanoate

C14H20O3 — CID 62395214

IUPACethyl 2-(4-methoxyphenyl)-3-methylbutanoate
SMILESCCOC(=O)C(c1ccc(OC)cc1)C(C)C
InChIInChI=1S/C14H20O3/c1-5-17-14(15)13(10(2)3)11-6-8-12(16-4)9-7-11/h6-10,13H,5H2,1-4H3
InChIKeyNCXYQPOGZFKSNJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.00
Rot. Bonds5

About ethyl 2-(4-methoxyphenyl)-3-methylbutanoate

ethyl 2-(4-methoxyphenyl)-3-methylbutanoate (PubChem CID 62395214) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is ethyl 2-(4-methoxyphenyl)-3-methylbutanoate.

Molecular Properties

Compound Nameethyl 2-(4-methoxyphenyl)-3-methylbutanoate
PubChem CID62395214
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Nameethyl 2-(4-methoxyphenyl)-3-methylbutanoate
SMILESCCOC(=O)C(c1ccc(OC)cc1)C(C)C
InChIInChI=1S/C14H20O3/c1-5-17-14(15)13(10(2)3)11-6-8-12(16-4)9-7-11/h6-10,13H,5H2,1-4H3
InChIKeyNCXYQPOGZFKSNJ-UHFFFAOYSA-N
XLogP3.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(4-methoxyphenyl)-3-methylbutanoate 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

diethyl 2-methylpropanedioate;1,4-dimethoxybenzene
CID 174542706
ethyl (2R,3R)-2-amino-3-(4-methoxyphenyl)butanoate;ethyl (2S,3S)-2-amino-3-(4-methoxyphenyl)butanoate
CID 170905939
tetraethyl (2R,3S)-2,3-bis(4-methoxyphenyl)butane-1,1,4,4-tetracarboxylate
CID 10602909
ethyl (2S)-3-acetyloxy-2-(4-methoxyphenyl)propanoate
CID 11346142
ethyl 2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propanoate
CID 81370863
(2S)-1,2-bis(4-methoxyphenyl)-3-methylbutan-1-one
CID 125480635
ethyl (2S)-2-(4-methoxyphenoxy)propanoate
CID 94606551
ethyl (3R)-3-amino-2-fluoro-3-(4-methoxyphenyl)propanoate;hydrochloride
CID 171239902
ethyl (2R)-3-(4-methoxyphenyl)-2-methyl-3-oxopropanoate
CID 97035569
2-(4-methoxyphenyl)-3-methyl-N-(2-methylpropyl)butanamide
CID 110316901
ethyl 2-(4-methoxyanilino)-3-methylbutanoate
CID 10753251
ethyl (2R)-3-(dimethylamino)-2-(4-methoxyphenyl)propanoate
CID 76958549

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methoxyphenyl)-3-methylbutanoate?
The IUPAC name of ethyl 2-(4-methoxyphenyl)-3-methylbutanoate (CID 62395214) is ethyl 2-(4-methoxyphenyl)-3-methylbutanoate.
What is the SMILES notation for ethyl 2-(4-methoxyphenyl)-3-methylbutanoate?
The canonical SMILES for ethyl 2-(4-methoxyphenyl)-3-methylbutanoate is CCOC(=O)C(c1ccc(OC)cc1)C(C)C.
What is the InChIKey of ethyl 2-(4-methoxyphenyl)-3-methylbutanoate?
The InChIKey is NCXYQPOGZFKSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-5-17-14(15)13(10(2)3)11-6-8-12(16-4)9-7-11/h6-10,13H,5H2,1-4H3.
What are the key properties of ethyl 2-(4-methoxyphenyl)-3-methylbutanoate?
ethyl 2-(4-methoxyphenyl)-3-methylbutanoate has a molecular weight of 236.31 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methoxyphenyl)-3-methylbutanoate is sourced from PubChem (CID 62395214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).