ethyl 4-[(3-methoxyphenyl)methoxy]-3-oxobutanoate

C14H18O5 — CID 63892220

IUPACethyl 4-[(3-methoxyphenyl)methoxy]-3-oxobutanoate
SMILESCCOC(=O)CC(=O)COCc1cccc(OC)c1
InChIInChI=1S/C14H18O5/c1-3-19-14(16)8-12(15)10-18-9-11-5-4-6-13(7-11)17-2/h4-7H,3,8-10H2,1-2H3
InChIKeyRRPUICIQCSEFBT-UHFFFAOYSA-N
MW266.29 g/mol
LogP1.73
Rot. Bonds8

About ethyl 4-[(3-methoxyphenyl)methoxy]-3-oxobutanoate

ethyl 4-[(3-methoxyphenyl)methoxy]-3-oxobutanoate (PubChem CID 63892220) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is ethyl 4-[(3-methoxyphenyl)methoxy]-3-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[(3-methoxyphenyl)methoxy]-3-oxobutanoate
PubChem CID63892220
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Nameethyl 4-[(3-methoxyphenyl)methoxy]-3-oxobutanoate
SMILESCCOC(=O)CC(=O)COCc1cccc(OC)c1
InChIInChI=1S/C14H18O5/c1-3-19-14(16)8-12(15)10-18-9-11-5-4-6-13(7-11)17-2/h4-7H,3,8-10H2,1-2H3
InChIKeyRRPUICIQCSEFBT-UHFFFAOYSA-N
XLogP1.73
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze ethyl 4-[(3-methoxyphenyl)methoxy]-3-oxobutanoate 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

N-[3-(aminomethyl)phenyl]-2-[(3-methoxyphenyl)methoxy]acetamide
CID 43823143
N-(4-aminophenyl)-2-[(3-methoxyphenyl)methoxy]acetamide
CID 24708109
6-[(3-methoxyphenyl)methoxy]hexan-3-one
CID 106801987
1-cyclopropyl-2-[(3-methoxyphenyl)methoxy]ethanone
CID 63907495
methyl 3-[(3-methoxyphenyl)methoxy]-2-methylpropanoate
CID 43537941
ethyl 2-[2-(3-methoxyphenyl)ethanethioyl]sulfanylacetate
CID 14294109
N-(3-aminophenyl)-2-[(3-methoxyphenyl)methoxy]acetamide
CID 24701706
methyl 3-oxo-4-phenylmethoxybutanoate
CID 12768799
3,4-dimethoxy-N'-[2-[(3-methoxyphenyl)methoxy]acetyl]benzohydrazide
CID 46489323
3-chloro-N'-[2-[(3-methoxyphenyl)methoxy]acetyl]benzohydrazide
CID 46471065
(3-methoxyphenyl)methyl 2-sulfanylacetate
CID 107018257
(3-methoxyphenyl)methyl pentanoate
CID 78789338

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-methoxyphenyl)methoxy]-3-oxobutanoate?
The IUPAC name of ethyl 4-[(3-methoxyphenyl)methoxy]-3-oxobutanoate (CID 63892220) is ethyl 4-[(3-methoxyphenyl)methoxy]-3-oxobutanoate.
What is the SMILES notation for ethyl 4-[(3-methoxyphenyl)methoxy]-3-oxobutanoate?
The canonical SMILES for ethyl 4-[(3-methoxyphenyl)methoxy]-3-oxobutanoate is CCOC(=O)CC(=O)COCc1cccc(OC)c1.
What is the InChIKey of ethyl 4-[(3-methoxyphenyl)methoxy]-3-oxobutanoate?
The InChIKey is RRPUICIQCSEFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-3-19-14(16)8-12(15)10-18-9-11-5-4-6-13(7-11)17-2/h4-7H,3,8-10H2,1-2H3.
What are the key properties of ethyl 4-[(3-methoxyphenyl)methoxy]-3-oxobutanoate?
ethyl 4-[(3-methoxyphenyl)methoxy]-3-oxobutanoate has a molecular weight of 266.29 g/mol, XLogP of 1.73, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-methoxyphenyl)methoxy]-3-oxobutanoate is sourced from PubChem (CID 63892220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).