ethyl 3-cyclobutylidene-3-methoxy-2-(4-methoxyphenyl)propanoate

C17H22O4 — CID 134315476

IUPACethyl 3-cyclobutylidene-3-methoxy-2-(4-methoxyphenyl)propanoate
SMILESCCOC(=O)C(C(OC)=C1CCC1)c1ccc(OC)cc1
InChIInChI=1S/C17H22O4/c1-4-21-17(18)15(16(20-3)13-6-5-7-13)12-8-10-14(19-2)11-9-12/h8-11,15H,4-7H2,1-3H3
InChIKeyMGESQVSPDYOTCK-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.43
Rot. Bonds6

About ethyl 3-cyclobutylidene-3-methoxy-2-(4-methoxyphenyl)propanoate

ethyl 3-cyclobutylidene-3-methoxy-2-(4-methoxyphenyl)propanoate (PubChem CID 134315476) has the molecular formula C17H22O4 and a molecular weight of 290.36 g/mol. Its IUPAC name is ethyl 3-cyclobutylidene-3-methoxy-2-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-cyclobutylidene-3-methoxy-2-(4-methoxyphenyl)propanoate
PubChem CID134315476
Molecular FormulaC17H22O4
Molecular Weight290.36 g/mol
Exact Mass290.15
IUPAC Nameethyl 3-cyclobutylidene-3-methoxy-2-(4-methoxyphenyl)propanoate
SMILESCCOC(=O)C(C(OC)=C1CCC1)c1ccc(OC)cc1
InChIInChI=1S/C17H22O4/c1-4-21-17(18)15(16(20-3)13-6-5-7-13)12-8-10-14(19-2)11-9-12/h8-11,15H,4-7H2,1-3H3
InChIKeyMGESQVSPDYOTCK-UHFFFAOYSA-N
XLogP3.43
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

dimethyl 2,5-bis(4-methoxyphenyl)-3,4-dioxohexanedioate
CID 11165893
ethyl 2-(4-methoxyphenyl)-3-methylbutanoate
CID 62395214
tetraethyl (2R,3S)-2,3-bis(4-methoxyphenyl)butane-1,1,4,4-tetracarboxylate
CID 10602909
3-ethoxy-2-(6-methoxynaphthalen-2-yl)-3-oxopropanoic acid
CID 139774449
diethyl 2-methylpropanedioate;1,4-dimethoxybenzene
CID 174542706
ethyl 2-(4-methoxyphenyl)-2-(propylamino)acetate
CID 60795637
ethyl (2S)-3-acetyloxy-2-(4-methoxyphenyl)propanoate
CID 11346142
ethyl 2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propanoate
CID 81370863
ethyl (2R,3R)-2-amino-3-(4-methoxyphenyl)butanoate;ethyl (2S,3S)-2-amino-3-(4-methoxyphenyl)butanoate
CID 170905939
diethyl 2-[(S)-(ethoxycarbonylamino)-(4-methoxyphenyl)methyl]propanedioate
CID 7323007
ethyl 3-(3,4-difluorophenyl)-2-(4-methoxyphenyl)-3-oxopropanoate
CID 59431181
bis(2-ethylhexyl) 2-(4-methoxyphenyl)propanedioate
CID 57424016

Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyclobutylidene-3-methoxy-2-(4-methoxyphenyl)propanoate?
The IUPAC name of ethyl 3-cyclobutylidene-3-methoxy-2-(4-methoxyphenyl)propanoate (CID 134315476) is ethyl 3-cyclobutylidene-3-methoxy-2-(4-methoxyphenyl)propanoate.
What is the SMILES notation for ethyl 3-cyclobutylidene-3-methoxy-2-(4-methoxyphenyl)propanoate?
The canonical SMILES for ethyl 3-cyclobutylidene-3-methoxy-2-(4-methoxyphenyl)propanoate is CCOC(=O)C(C(OC)=C1CCC1)c1ccc(OC)cc1.
What is the InChIKey of ethyl 3-cyclobutylidene-3-methoxy-2-(4-methoxyphenyl)propanoate?
The InChIKey is MGESQVSPDYOTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O4/c1-4-21-17(18)15(16(20-3)13-6-5-7-13)12-8-10-14(19-2)11-9-12/h8-11,15H,4-7H2,1-3H3.
What are the key properties of ethyl 3-cyclobutylidene-3-methoxy-2-(4-methoxyphenyl)propanoate?
ethyl 3-cyclobutylidene-3-methoxy-2-(4-methoxyphenyl)propanoate has a molecular weight of 290.36 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyclobutylidene-3-methoxy-2-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 134315476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).