ethyl 7-formyl-4,6-dimethoxy-1-benzofuran-2-carboxylate

C14H14O6 — CID 134924711

IUPACethyl 7-formyl-4,6-dimethoxy-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1cc2c(OC)cc(OC)c(C=O)c2o1
InChIInChI=1S/C14H14O6/c1-4-19-14(16)12-5-8-10(17-2)6-11(18-3)9(7-15)13(8)20-12/h5-7H,4H2,1-3H3
InChIKeyMXQLRRZMZANIEK-UHFFFAOYSA-N
MW278.26 g/mol
LogP2.44
Rot. Bonds5

About ethyl 7-formyl-4,6-dimethoxy-1-benzofuran-2-carboxylate

ethyl 7-formyl-4,6-dimethoxy-1-benzofuran-2-carboxylate (PubChem CID 134924711) has the molecular formula C14H14O6 and a molecular weight of 278.26 g/mol. Its IUPAC name is ethyl 7-formyl-4,6-dimethoxy-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-formyl-4,6-dimethoxy-1-benzofuran-2-carboxylate
PubChem CID134924711
Molecular FormulaC14H14O6
Molecular Weight278.26 g/mol
Exact Mass278.08
IUPAC Nameethyl 7-formyl-4,6-dimethoxy-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1cc2c(OC)cc(OC)c(C=O)c2o1
InChIInChI=1S/C14H14O6/c1-4-19-14(16)12-5-8-10(17-2)6-11(18-3)9(7-15)13(8)20-12/h5-7H,4H2,1-3H3
InChIKeyMXQLRRZMZANIEK-UHFFFAOYSA-N
XLogP2.44
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl [1]benzofuro[5,6-b][1]benzofuran-2-carboxylate;ethyl 10-formyl-[1]benzofuro[5,6-b][1]benzofuran-2-carboxylate
CID 157408714
ethyl 3-chloro-2-formyl-4,6-dimethoxybenzoate
CID 102368936
ethyl 3-formyl-5,6-dimethoxy-1H-indole-2-carboxylate
CID 10660135
4,6-dimethoxy-1-benzofuran-7-carbaldehyde
CID 82396117
ethyl 6-fluoro-5-methoxy-1-benzofuran-2-carboxylate
CID 134180527
ethyl 6-bromo-7-formyl-4-oxochromene-2-carboxylate
CID 156537403
ethyl 6-methoxy-4H-furo[3,2-b]indole-2-carboxylate
CID 13405782
ethyl 4-formyl-2-methoxy-6-methylbenzoate
CID 171024646
ethyl 5-[(5-formyl-2-methoxyphenoxy)methyl]furan-2-carboxylate
CID 28913576
ethyl 9-(hydroxymethyl)-[1]benzofuro[3,2-e][1]benzofuran-2-carboxylate
CID 15170240
ethyl 5-formyl-6-hydroxy-1-benzofuran-2-carboxylate
CID 10823563
ethyl 7-amino-4-oxo-8-propylchromene-2-carboxylate
CID 2801547

Frequently Asked Questions

What is the IUPAC name of ethyl 7-formyl-4,6-dimethoxy-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 7-formyl-4,6-dimethoxy-1-benzofuran-2-carboxylate (CID 134924711) is ethyl 7-formyl-4,6-dimethoxy-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 7-formyl-4,6-dimethoxy-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 7-formyl-4,6-dimethoxy-1-benzofuran-2-carboxylate is CCOC(=O)c1cc2c(OC)cc(OC)c(C=O)c2o1.
What is the InChIKey of ethyl 7-formyl-4,6-dimethoxy-1-benzofuran-2-carboxylate?
The InChIKey is MXQLRRZMZANIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O6/c1-4-19-14(16)12-5-8-10(17-2)6-11(18-3)9(7-15)13(8)20-12/h5-7H,4H2,1-3H3.
What are the key properties of ethyl 7-formyl-4,6-dimethoxy-1-benzofuran-2-carboxylate?
ethyl 7-formyl-4,6-dimethoxy-1-benzofuran-2-carboxylate has a molecular weight of 278.26 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-formyl-4,6-dimethoxy-1-benzofuran-2-carboxylate is sourced from PubChem (CID 134924711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).