methyl 4-[(E)-3-(furan-2-yl)prop-2-enoyl]oxy-3-methoxybenzoate

C16H14O6 — CID 8840269

IUPACmethyl 4-[(E)-3-(furan-2-yl)prop-2-enoyl]oxy-3-methoxybenzoate
SMILESCOC(=O)c1ccc(OC(=O)/C=C/c2ccco2)c(OC)c1
InChIInChI=1S/C16H14O6/c1-19-14-10-11(16(18)20-2)5-7-13(14)22-15(17)8-6-12-4-3-9-21-12/h3-10H,1-2H3/b8-6+
InChIKeySPORZBFNBKQKLX-SOFGYWHQSA-N
MW302.28 g/mol
LogP2.69
Rot. Bonds5

About methyl 4-[(E)-3-(furan-2-yl)prop-2-enoyl]oxy-3-methoxybenzoate

methyl 4-[(E)-3-(furan-2-yl)prop-2-enoyl]oxy-3-methoxybenzoate (PubChem CID 8840269) has the molecular formula C16H14O6 and a molecular weight of 302.28 g/mol. Its IUPAC name is methyl 4-[(E)-3-(furan-2-yl)prop-2-enoyl]oxy-3-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-[(E)-3-(furan-2-yl)prop-2-enoyl]oxy-3-methoxybenzoate
PubChem CID8840269
Molecular FormulaC16H14O6
Molecular Weight302.28 g/mol
Exact Mass302.08
IUPAC Namemethyl 4-[(E)-3-(furan-2-yl)prop-2-enoyl]oxy-3-methoxybenzoate
SMILESCOC(=O)c1ccc(OC(=O)/C=C/c2ccco2)c(OC)c1
InChIInChI=1S/C16H14O6/c1-19-14-10-11(16(18)20-2)5-7-13(14)22-15(17)8-6-12-4-3-9-21-12/h3-10H,1-2H3/b8-6+
InChIKeySPORZBFNBKQKLX-SOFGYWHQSA-N
XLogP2.69
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]oxy-3-methoxybenzoate
CID 26213210
methyl 2-[3-(furan-2-yl)prop-2-enoyl]pyridine-4-carboxylate
CID 144590992
dimethyl 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzene-1,4-dicarboxylate
CID 5342219
(2-bromo-4-propan-2-ylphenyl) 3-(furan-2-yl)prop-2-enoate
CID 3310676
methyl 4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoate
CID 963838
methyl 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoate
CID 2303057
3-bromo-N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-methoxybenzohydrazide
CID 1191602
(2-formylphenyl) 3-(furan-2-yl)prop-2-enoate
CID 888865
(2-propan-2-ylphenyl) (E)-3-(furan-2-yl)prop-2-enoate
CID 918034
methyl 4-[(E)-3-(4-cyano-2-methoxyphenoxy)-3-oxoprop-1-enyl]benzoate
CID 8501705
(2-methoxy-4-methoxycarbonylphenyl) furan-3-carboxylate
CID 31849790
3-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]-4-methoxybenzoic acid
CID 17099408

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(E)-3-(furan-2-yl)prop-2-enoyl]oxy-3-methoxybenzoate?
The IUPAC name of methyl 4-[(E)-3-(furan-2-yl)prop-2-enoyl]oxy-3-methoxybenzoate (CID 8840269) is methyl 4-[(E)-3-(furan-2-yl)prop-2-enoyl]oxy-3-methoxybenzoate.
What is the SMILES notation for methyl 4-[(E)-3-(furan-2-yl)prop-2-enoyl]oxy-3-methoxybenzoate?
The canonical SMILES for methyl 4-[(E)-3-(furan-2-yl)prop-2-enoyl]oxy-3-methoxybenzoate is COC(=O)c1ccc(OC(=O)/C=C/c2ccco2)c(OC)c1.
What is the InChIKey of methyl 4-[(E)-3-(furan-2-yl)prop-2-enoyl]oxy-3-methoxybenzoate?
The InChIKey is SPORZBFNBKQKLX-SOFGYWHQSA-N. The full InChI is InChI=1S/C16H14O6/c1-19-14-10-11(16(18)20-2)5-7-13(14)22-15(17)8-6-12-4-3-9-21-12/h3-10H,1-2H3/b8-6+.
What are the key properties of methyl 4-[(E)-3-(furan-2-yl)prop-2-enoyl]oxy-3-methoxybenzoate?
methyl 4-[(E)-3-(furan-2-yl)prop-2-enoyl]oxy-3-methoxybenzoate has a molecular weight of 302.28 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(E)-3-(furan-2-yl)prop-2-enoyl]oxy-3-methoxybenzoate is sourced from PubChem (CID 8840269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).