ethyl 5-[3-(furan-2-yl)prop-2-enoyloxy]-2-methyl-1-benzofuran-3-carboxylate

C19H16O6 — CID 5000836

IUPACethyl 5-[3-(furan-2-yl)prop-2-enoyloxy]-2-methyl-1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(C)oc2ccc(OC(=O)C=Cc3ccco3)cc12
InChIInChI=1S/C19H16O6/c1-3-22-19(21)18-12(2)24-16-8-6-14(11-15(16)18)25-17(20)9-7-13-5-4-10-23-13/h4-11H,3H2,1-2H3
InChIKeyWKEJOXMHRCRRQP-UHFFFAOYSA-N
MW340.33 g/mol
LogP4.13
Rot. Bonds5

About ethyl 5-[3-(furan-2-yl)prop-2-enoyloxy]-2-methyl-1-benzofuran-3-carboxylate

ethyl 5-[3-(furan-2-yl)prop-2-enoyloxy]-2-methyl-1-benzofuran-3-carboxylate (PubChem CID 5000836) has the molecular formula C19H16O6 and a molecular weight of 340.33 g/mol. Its IUPAC name is ethyl 5-[3-(furan-2-yl)prop-2-enoyloxy]-2-methyl-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[3-(furan-2-yl)prop-2-enoyloxy]-2-methyl-1-benzofuran-3-carboxylate
PubChem CID5000836
Molecular FormulaC19H16O6
Molecular Weight340.33 g/mol
Exact Mass340.09
IUPAC Nameethyl 5-[3-(furan-2-yl)prop-2-enoyloxy]-2-methyl-1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(C)oc2ccc(OC(=O)C=Cc3ccco3)cc12
InChIInChI=1S/C19H16O6/c1-3-22-19(21)18-12(2)24-16-8-6-14(11-15(16)18)25-17(20)9-7-13-5-4-10-23-13/h4-11H,3H2,1-2H3
InChIKeyWKEJOXMHRCRRQP-UHFFFAOYSA-N
XLogP4.13
TPSA78.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 54.13
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

ethyl 2-methyl-5-(2-methylpropoxy)-1-benzofuran-3-carboxylate
CID 170347431
ethyl 5-(2-amino-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate
CID 651493
ethyl 5-[(1R)-2-ethoxy-2-oxo-1-phenylethoxy]-2-methyl-1-benzofuran-3-carboxylate
CID 1325291
ethane;ethyl 5-hydroxy-2-methyl-1-benzofuran-3-carboxylate
CID 170599419
methyl 5-(4-ethoxy-4-oxobut-2-enoxy)-2-methyl-1-benzofuran-3-carboxylate
CID 2892053
ethyl 5-[(3-chlorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate
CID 702026
ethyl 2-phenyl-5-(2-sulfanylideneethanethioyl)oxy-1-benzofuran-3-carboxylate
CID 87539661
butyl (Z)-3-(furan-2-yl)prop-2-enoate
CID 102254544
ethane;ethyl 5-(cyclobutylmethoxy)-2-methyl-1-benzofuran-3-carboxylate
CID 170599447
ethyl 5-[(2,2-difluorocyclopropyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate
CID 170347607
ethyl 5-[(2-chloro-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate
CID 163380731
methyl 5-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxy-2-methyl-1-benzofuran-3-carboxylate
CID 854564

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[3-(furan-2-yl)prop-2-enoyloxy]-2-methyl-1-benzofuran-3-carboxylate?
The IUPAC name of ethyl 5-[3-(furan-2-yl)prop-2-enoyloxy]-2-methyl-1-benzofuran-3-carboxylate (CID 5000836) is ethyl 5-[3-(furan-2-yl)prop-2-enoyloxy]-2-methyl-1-benzofuran-3-carboxylate.
What is the SMILES notation for ethyl 5-[3-(furan-2-yl)prop-2-enoyloxy]-2-methyl-1-benzofuran-3-carboxylate?
The canonical SMILES for ethyl 5-[3-(furan-2-yl)prop-2-enoyloxy]-2-methyl-1-benzofuran-3-carboxylate is CCOC(=O)c1c(C)oc2ccc(OC(=O)C=Cc3ccco3)cc12.
What is the InChIKey of ethyl 5-[3-(furan-2-yl)prop-2-enoyloxy]-2-methyl-1-benzofuran-3-carboxylate?
The InChIKey is WKEJOXMHRCRRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O6/c1-3-22-19(21)18-12(2)24-16-8-6-14(11-15(16)18)25-17(20)9-7-13-5-4-10-23-13/h4-11H,3H2,1-2H3.
What are the key properties of ethyl 5-[3-(furan-2-yl)prop-2-enoyloxy]-2-methyl-1-benzofuran-3-carboxylate?
ethyl 5-[3-(furan-2-yl)prop-2-enoyloxy]-2-methyl-1-benzofuran-3-carboxylate has a molecular weight of 340.33 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[3-(furan-2-yl)prop-2-enoyloxy]-2-methyl-1-benzofuran-3-carboxylate is sourced from PubChem (CID 5000836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).