methyl 5-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate

C19H20O7 — CID 7654003

IUPACmethyl 5-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate
SMILESCCOc1ccc(/C=C/C(=O)OCc2ccc(C(=O)OC)o2)cc1OC
InChIInChI=1S/C19H20O7/c1-4-24-15-8-5-13(11-17(15)22-2)6-10-18(20)25-12-14-7-9-16(26-14)19(21)23-3/h5-11H,4,12H2,1-3H3/b10-6+
InChIKeyJNROHJAYHFXZQS-UXBLZVDNSA-N
MW360.36 g/mol
LogP3.23
Rot. Bonds8

About methyl 5-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate

methyl 5-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate (PubChem CID 7654003) has the molecular formula C19H20O7 and a molecular weight of 360.36 g/mol. Its IUPAC name is methyl 5-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate
PubChem CID7654003
Molecular FormulaC19H20O7
Molecular Weight360.36 g/mol
Exact Mass360.12
IUPAC Namemethyl 5-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate
SMILESCCOc1ccc(/C=C/C(=O)OCc2ccc(C(=O)OC)o2)cc1OC
InChIInChI=1S/C19H20O7/c1-4-24-15-8-5-13(11-17(15)22-2)6-10-18(20)25-12-14-7-9-16(26-14)19(21)23-3/h5-11H,4,12H2,1-3H3/b10-6+
InChIKeyJNROHJAYHFXZQS-UXBLZVDNSA-N
XLogP3.23
TPSA84.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 5-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate with MolForge

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Related Compounds

methyl 5-[[(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate
CID 7726518
[5-(dimethylsulfamoyl)furan-2-yl]methyl (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
CID 55730493
methyl 5-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate
CID 8665205
methyl 5-[[4-(3-acetylsulfanylprop-1-enyl)-2-methoxyphenoxy]methyl]furan-2-carboxylate
CID 169458360
methyl 5-[[(E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoyl]oxymethyl]furan-2-carboxylate
CID 8675246
methyl 5-[(2-ethoxy-4-methanehydrazonoylphenoxy)methyl]furan-2-carboxylate
CID 78678985
(2,3,4,5,6-pentafluorophenyl)methyl (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
CID 7654255
[2-(2-acetylhydrazinyl)-2-oxoethyl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
CID 7653890
ethyl (Z)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoate
CID 92840869
methyl 4-[[2-[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]oxyacetyl]amino]benzoate
CID 7253648
[2-(ethoxycarbonylamino)-2-oxoethyl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
CID 7253521
ethyl (Z)-3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate
CID 92908749

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate (CID 7654003) is methyl 5-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate is CCOc1ccc(/C=C/C(=O)OCc2ccc(C(=O)OC)o2)cc1OC.
What is the InChIKey of methyl 5-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate?
The InChIKey is JNROHJAYHFXZQS-UXBLZVDNSA-N. The full InChI is InChI=1S/C19H20O7/c1-4-24-15-8-5-13(11-17(15)22-2)6-10-18(20)25-12-14-7-9-16(26-14)19(21)23-3/h5-11H,4,12H2,1-3H3/b10-6+.
What are the key properties of methyl 5-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate?
methyl 5-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate has a molecular weight of 360.36 g/mol, XLogP of 3.23, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate is sourced from PubChem (CID 7654003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).