methyl 3-[(4,7-dimethoxy-1-benzofuran-6-yl)oxy]but-2-enoate

C15H16O6 — CID 154362624

IUPACmethyl 3-[(4,7-dimethoxy-1-benzofuran-6-yl)oxy]but-2-enoate
SMILESCOC(=O)C=C(C)Oc1cc(OC)c2ccoc2c1OC
InChIInChI=1S/C15H16O6/c1-9(7-13(16)18-3)21-12-8-11(17-2)10-5-6-20-14(10)15(12)19-4/h5-8H,1-4H3
InChIKeyIVBMPODTDIOFTQ-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.91
Rot. Bonds5

About methyl 3-[(4,7-dimethoxy-1-benzofuran-6-yl)oxy]but-2-enoate

methyl 3-[(4,7-dimethoxy-1-benzofuran-6-yl)oxy]but-2-enoate (PubChem CID 154362624) has the molecular formula C15H16O6 and a molecular weight of 292.29 g/mol. Its IUPAC name is methyl 3-[(4,7-dimethoxy-1-benzofuran-6-yl)oxy]but-2-enoate.

Molecular Properties

Compound Namemethyl 3-[(4,7-dimethoxy-1-benzofuran-6-yl)oxy]but-2-enoate
PubChem CID154362624
Molecular FormulaC15H16O6
Molecular Weight292.29 g/mol
Exact Mass292.09
IUPAC Namemethyl 3-[(4,7-dimethoxy-1-benzofuran-6-yl)oxy]but-2-enoate
SMILESCOC(=O)C=C(C)Oc1cc(OC)c2ccoc2c1OC
InChIInChI=1S/C15H16O6/c1-9(7-13(16)18-3)21-12-8-11(17-2)10-5-6-20-14(10)15(12)19-4/h5-8H,1-4H3
InChIKeyIVBMPODTDIOFTQ-UHFFFAOYSA-N
XLogP2.91
TPSA67.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4,6-dimethoxy-1-benzofuran-7-carbaldehyde
CID 82396117
(E)-3-(3,4-dimethoxyphenyl)-1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)prop-2-en-1-one
CID 5348764
(E)-3-(4,7-dimethoxy-1-benzofuran-5-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 156702988
acetic acid;6-[2-(3,4,5-trimethoxyphenyl)ethenyl]-1-benzofuran-4-ol
CID 71416233
(7-methoxy-1-benzofuran-4-yl) formate
CID 19261744
methyl (E)-3-(2,5-dimethoxyphenyl)but-2-enoate
CID 140902716
2-[(7-methoxy-1-benzofuran-4-yl)oxy]acetic acid
CID 69006707
2-amino-1-(4-methoxyfuro[2,3-f][1]benzofuran-8-yl)ethanone
CID 117364313
4-methoxy-7-methyl-1-benzofuran-5-carbaldehyde
CID 82374430
5,7-dimethoxy-8-(3-methylbut-2-enoxy)chromen-4-one
CID 162939847
methyl 4,8,11-trimethoxy-6-methyl-5,10-dioxonaphtho[3,2-f][1]benzofuran-7-carboxylate
CID 15923711
1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-3-methylurea
CID 12672416

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4,7-dimethoxy-1-benzofuran-6-yl)oxy]but-2-enoate?
The IUPAC name of methyl 3-[(4,7-dimethoxy-1-benzofuran-6-yl)oxy]but-2-enoate (CID 154362624) is methyl 3-[(4,7-dimethoxy-1-benzofuran-6-yl)oxy]but-2-enoate.
What is the SMILES notation for methyl 3-[(4,7-dimethoxy-1-benzofuran-6-yl)oxy]but-2-enoate?
The canonical SMILES for methyl 3-[(4,7-dimethoxy-1-benzofuran-6-yl)oxy]but-2-enoate is COC(=O)C=C(C)Oc1cc(OC)c2ccoc2c1OC.
What is the InChIKey of methyl 3-[(4,7-dimethoxy-1-benzofuran-6-yl)oxy]but-2-enoate?
The InChIKey is IVBMPODTDIOFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O6/c1-9(7-13(16)18-3)21-12-8-11(17-2)10-5-6-20-14(10)15(12)19-4/h5-8H,1-4H3.
What are the key properties of methyl 3-[(4,7-dimethoxy-1-benzofuran-6-yl)oxy]but-2-enoate?
methyl 3-[(4,7-dimethoxy-1-benzofuran-6-yl)oxy]but-2-enoate has a molecular weight of 292.29 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4,7-dimethoxy-1-benzofuran-6-yl)oxy]but-2-enoate is sourced from PubChem (CID 154362624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).