ethyl (Z)-3-ethoxy-2-(3-methoxybenzoyl)prop-2-enoate

C15H18O5 — CID 140765268

IUPACethyl (Z)-3-ethoxy-2-(3-methoxybenzoyl)prop-2-enoate
SMILESCCO/C=C(\C(=O)OCC)C(=O)c1cccc(OC)c1
InChIInChI=1S/C15H18O5/c1-4-19-10-13(15(17)20-5-2)14(16)11-7-6-8-12(9-11)18-3/h6-10H,4-5H2,1-3H3/b13-10-
InChIKeyCOJCWOQWFVODNY-RAXLEYEMSA-N
MW278.30 g/mol
LogP2.36
Rot. Bonds7

About ethyl (Z)-3-ethoxy-2-(3-methoxybenzoyl)prop-2-enoate

ethyl (Z)-3-ethoxy-2-(3-methoxybenzoyl)prop-2-enoate (PubChem CID 140765268) has the molecular formula C15H18O5 and a molecular weight of 278.30 g/mol. Its IUPAC name is ethyl (Z)-3-ethoxy-2-(3-methoxybenzoyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-ethoxy-2-(3-methoxybenzoyl)prop-2-enoate
PubChem CID140765268
Molecular FormulaC15H18O5
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Nameethyl (Z)-3-ethoxy-2-(3-methoxybenzoyl)prop-2-enoate
SMILESCCO/C=C(\C(=O)OCC)C(=O)c1cccc(OC)c1
InChIInChI=1S/C15H18O5/c1-4-19-10-13(15(17)20-5-2)14(16)11-7-6-8-12(9-11)18-3/h6-10H,4-5H2,1-3H3/b13-10-
InChIKeyCOJCWOQWFVODNY-RAXLEYEMSA-N
XLogP2.36
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-2-benzoyl-3-ethoxyprop-2-enoate
CID 3034576
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CID 69157945
3-ethoxycarbonyl-4-(3-methoxyphenyl)pent-3-enoic acid
CID 3577559
lithium 4-ethoxy-1-(3-methoxyphenyl)-3,4-dioxobut-1-en-1-olate
CID 67153516
2-(3-methoxyphenyl)-2-oxoacetamide
CID 116924501
ethyl (Z)-2-(2,4-dichlorobenzoyl)-3-ethoxyprop-2-enoate
CID 11723335
ethyl 3-ethoxy-2-(2-methylsulfanylbenzoyl)prop-2-enoate
CID 70458532
2-benzoyl-3-ethoxyprop-2-enoic acid
CID 54394152
ethyl (E)-3-(3-methoxyphenyl)-2-methylprop-2-enoate
CID 104503715
1-(3-methoxyphenyl)-2-naphthalen-1-ylethane-1,2-dione
CID 56956967
diethyl 2-[(2-bromo-5-methoxyphenyl)methylidene]propanedioate
CID 59837570
ethyl (E)-2-amino-4-fluoro-3-(3-methoxyphenyl)but-3-enoate
CID 13276226

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-ethoxy-2-(3-methoxybenzoyl)prop-2-enoate?
The IUPAC name of ethyl (Z)-3-ethoxy-2-(3-methoxybenzoyl)prop-2-enoate (CID 140765268) is ethyl (Z)-3-ethoxy-2-(3-methoxybenzoyl)prop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-ethoxy-2-(3-methoxybenzoyl)prop-2-enoate?
The canonical SMILES for ethyl (Z)-3-ethoxy-2-(3-methoxybenzoyl)prop-2-enoate is CCO/C=C(\C(=O)OCC)C(=O)c1cccc(OC)c1.
What is the InChIKey of ethyl (Z)-3-ethoxy-2-(3-methoxybenzoyl)prop-2-enoate?
The InChIKey is COJCWOQWFVODNY-RAXLEYEMSA-N. The full InChI is InChI=1S/C15H18O5/c1-4-19-10-13(15(17)20-5-2)14(16)11-7-6-8-12(9-11)18-3/h6-10H,4-5H2,1-3H3/b13-10-.
What are the key properties of ethyl (Z)-3-ethoxy-2-(3-methoxybenzoyl)prop-2-enoate?
ethyl (Z)-3-ethoxy-2-(3-methoxybenzoyl)prop-2-enoate has a molecular weight of 278.30 g/mol, XLogP of 2.36, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-ethoxy-2-(3-methoxybenzoyl)prop-2-enoate is sourced from PubChem (CID 140765268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).