ethyl 4-(2,3-dimethoxyphenyl)-2-methylbuta-2,3-dienoate

C15H18O4 — CID 102073822

IUPACethyl 4-(2,3-dimethoxyphenyl)-2-methylbuta-2,3-dienoate
SMILESCCOC(=O)C(C)=C=Cc1cccc(OC)c1OC
InChIInChI=1S/C15H18O4/c1-5-19-15(16)11(2)9-10-12-7-6-8-13(17-3)14(12)18-4/h6-8,10H,5H2,1-4H3
InChIKeyVAMJWAUMZOCGKC-UHFFFAOYSA-N
MW262.30 g/mol
LogP2.83
Rot. Bonds5

About ethyl 4-(2,3-dimethoxyphenyl)-2-methylbuta-2,3-dienoate

ethyl 4-(2,3-dimethoxyphenyl)-2-methylbuta-2,3-dienoate (PubChem CID 102073822) has the molecular formula C15H18O4 and a molecular weight of 262.30 g/mol. Its IUPAC name is ethyl 4-(2,3-dimethoxyphenyl)-2-methylbuta-2,3-dienoate.

Molecular Properties

Compound Nameethyl 4-(2,3-dimethoxyphenyl)-2-methylbuta-2,3-dienoate
PubChem CID102073822
Molecular FormulaC15H18O4
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Nameethyl 4-(2,3-dimethoxyphenyl)-2-methylbuta-2,3-dienoate
SMILESCCOC(=O)C(C)=C=Cc1cccc(OC)c1OC
InChIInChI=1S/C15H18O4/c1-5-19-15(16)11(2)9-10-12-7-6-8-13(17-3)14(12)18-4/h6-8,10H,5H2,1-4H3
InChIKeyVAMJWAUMZOCGKC-UHFFFAOYSA-N
XLogP2.83
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-methyl-4-naphthalen-1-ylbuta-2,3-dienoate
CID 46210536
ethyl 2-methyl-4-(2-phenylphenyl)buta-2,3-dienoate
CID 88812743
ethyl 4-(3-methoxyphenyl)-2-methylbuta-2,3-dienoate
CID 117059022
ethyl 4-(4-methoxyphenyl)-2-methylbuta-2,3-dienoate
CID 11253262
ethyl 4-(4-fluorophenyl)-2-methylbuta-2,3-dienoate
CID 11481404
ethane;ethyl (Z)-2-amino-3-(2-methoxyphenyl)prop-2-enoate
CID 142093206
ethyl 2-[N'-[(E)-(2,3-dimethoxyphenyl)methylideneamino]carbamimidoyl]-3-ethoxy-3-hydroxyprop-2-enoate
CID 172915198
ethyl 2-(2,6-dimethoxyphenyl)-2-oxoacetate
CID 22560922
diethyl (Z)-2-(2,3,4-trimethoxyphenyl)pent-2-enedioate
CID 10020886
ethyl (Z)-2-amino-3-(3-bromo-2-methoxyphenyl)prop-2-enoate
CID 144511366
ethyl (2R)-2-(3-formyl-2-methoxyphenoxy)propanoate
CID 95239892
ethyl 2-[5-[(2,3-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
CID 75338987

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,3-dimethoxyphenyl)-2-methylbuta-2,3-dienoate?
The IUPAC name of ethyl 4-(2,3-dimethoxyphenyl)-2-methylbuta-2,3-dienoate (CID 102073822) is ethyl 4-(2,3-dimethoxyphenyl)-2-methylbuta-2,3-dienoate.
What is the SMILES notation for ethyl 4-(2,3-dimethoxyphenyl)-2-methylbuta-2,3-dienoate?
The canonical SMILES for ethyl 4-(2,3-dimethoxyphenyl)-2-methylbuta-2,3-dienoate is CCOC(=O)C(C)=C=Cc1cccc(OC)c1OC.
What is the InChIKey of ethyl 4-(2,3-dimethoxyphenyl)-2-methylbuta-2,3-dienoate?
The InChIKey is VAMJWAUMZOCGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-5-19-15(16)11(2)9-10-12-7-6-8-13(17-3)14(12)18-4/h6-8,10H,5H2,1-4H3.
What are the key properties of ethyl 4-(2,3-dimethoxyphenyl)-2-methylbuta-2,3-dienoate?
ethyl 4-(2,3-dimethoxyphenyl)-2-methylbuta-2,3-dienoate has a molecular weight of 262.30 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,3-dimethoxyphenyl)-2-methylbuta-2,3-dienoate is sourced from PubChem (CID 102073822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).