(Z)-2-hydroxy-2-methoxy-1-(6-methoxy-2-pent-4-enoxycarbonyl-1-benzofuran-3-yl)ethenediazonium

C18H19N2O6+ — CID 10522359

IUPAC(Z)-2-hydroxy-2-methoxy-1-(6-methoxy-2-pent-4-enoxycarbonyl-1-benzofuran-3-yl)ethenediazonium
SMILESC=CCCCOC(=O)c1oc2cc(OC)ccc2c1/C([N+]#N)=C(\O)OC
InChIInChI=1S/C18H18N2O6/c1-4-5-6-9-25-18(22)16-14(15(20-19)17(21)24-3)12-8-7-11(23-2)10-13(12)26-16/h4,7-8,10H,1,5-6,9H2,2-3H3/p+1
InChIKeyGPRYNDBMQVDTIL-UHFFFAOYSA-O
MW359.36 g/mol
LogP4.25
Rot. Bonds8

About (Z)-2-hydroxy-2-methoxy-1-(6-methoxy-2-pent-4-enoxycarbonyl-1-benzofuran-3-yl)ethenediazonium

(Z)-2-hydroxy-2-methoxy-1-(6-methoxy-2-pent-4-enoxycarbonyl-1-benzofuran-3-yl)ethenediazonium (PubChem CID 10522359) has the molecular formula C18H19N2O6+ and a molecular weight of 359.36 g/mol. Its IUPAC name is (Z)-2-hydroxy-2-methoxy-1-(6-methoxy-2-pent-4-enoxycarbonyl-1-benzofuran-3-yl)ethenediazonium.

Molecular Properties

Compound Name(Z)-2-hydroxy-2-methoxy-1-(6-methoxy-2-pent-4-enoxycarbonyl-1-benzofuran-3-yl)ethenediazonium
PubChem CID10522359
Molecular FormulaC18H19N2O6+
Molecular Weight359.36 g/mol
Exact Mass359.12
IUPAC Name(Z)-2-hydroxy-2-methoxy-1-(6-methoxy-2-pent-4-enoxycarbonyl-1-benzofuran-3-yl)ethenediazonium
SMILESC=CCCCOC(=O)c1oc2cc(OC)ccc2c1/C([N+]#N)=C(\O)OC
InChIInChI=1S/C18H18N2O6/c1-4-5-6-9-25-18(22)16-14(15(20-19)17(21)24-3)12-8-7-11(23-2)10-13(12)26-16/h4,7-8,10H,1,5-6,9H2,2-3H3/p+1
InChIKeyGPRYNDBMQVDTIL-UHFFFAOYSA-O
XLogP4.25
TPSA106.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (Z)-2-hydroxy-2-methoxy-1-(6-methoxy-2-pent-4-enoxycarbonyl-1-benzofuran-3-yl)ethenediazonium with MolForge

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Related Compounds

(Z)-2-hydroxy-2-methoxy-1-(2-pent-4-enoxycarbonyl-1-benzofuran-3-yl)ethenediazonium
CID 10711351
3-hydroxy-6-methoxy-1-benzofuran-2-carboxylic acid
CID 54725263
ethyl 6-methoxy-2-(2-methoxyphenyl)-1-benzofuran-3-carboxylate
CID 90272615
pent-4-enyl 4-methylbenzoate
CID 176964104
methyl 7-methoxy-4-oxochromene-2-carboxylate
CID 739444
methyl 6-methoxy-3-propan-2-yloxy-1-benzofuran-2-carboxylate
CID 15131055
dimethyl 6-methyl-1-benzofuran-2,3-dicarboxylate
CID 13381524
(E)-N-(2-acetyl-6-methoxy-1-benzofuran-3-yl)-3-phenylprop-2-enamide
CID 23111288
undec-10-enyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 100917126
2-(6-methoxynaphthalen-2-yl)hept-6-enoic acid;methyl 2-(6-methoxynaphthalen-2-yl)hept-6-enoate
CID 69251620
(E)-N-(2-acetyl-6-methoxy-1-benzofuran-3-yl)but-2-enamide
CID 11818142
ethane;6-methoxy-N-[(3E)-4-phenylbuta-1,3-dien-2-yl]-2-prop-1-en-2-yl-1-benzofuran-3-amine
CID 142972180

Frequently Asked Questions

What is the IUPAC name of (Z)-2-hydroxy-2-methoxy-1-(6-methoxy-2-pent-4-enoxycarbonyl-1-benzofuran-3-yl)ethenediazonium?
The IUPAC name of (Z)-2-hydroxy-2-methoxy-1-(6-methoxy-2-pent-4-enoxycarbonyl-1-benzofuran-3-yl)ethenediazonium (CID 10522359) is (Z)-2-hydroxy-2-methoxy-1-(6-methoxy-2-pent-4-enoxycarbonyl-1-benzofuran-3-yl)ethenediazonium.
What is the SMILES notation for (Z)-2-hydroxy-2-methoxy-1-(6-methoxy-2-pent-4-enoxycarbonyl-1-benzofuran-3-yl)ethenediazonium?
The canonical SMILES for (Z)-2-hydroxy-2-methoxy-1-(6-methoxy-2-pent-4-enoxycarbonyl-1-benzofuran-3-yl)ethenediazonium is C=CCCCOC(=O)c1oc2cc(OC)ccc2c1/C([N+]#N)=C(\O)OC.
What is the InChIKey of (Z)-2-hydroxy-2-methoxy-1-(6-methoxy-2-pent-4-enoxycarbonyl-1-benzofuran-3-yl)ethenediazonium?
The InChIKey is GPRYNDBMQVDTIL-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H18N2O6/c1-4-5-6-9-25-18(22)16-14(15(20-19)17(21)24-3)12-8-7-11(23-2)10-13(12)26-16/h4,7-8,10H,1,5-6,9H2,2-3H3/p+1.
What are the key properties of (Z)-2-hydroxy-2-methoxy-1-(6-methoxy-2-pent-4-enoxycarbonyl-1-benzofuran-3-yl)ethenediazonium?
(Z)-2-hydroxy-2-methoxy-1-(6-methoxy-2-pent-4-enoxycarbonyl-1-benzofuran-3-yl)ethenediazonium has a molecular weight of 359.36 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-hydroxy-2-methoxy-1-(6-methoxy-2-pent-4-enoxycarbonyl-1-benzofuran-3-yl)ethenediazonium is sourced from PubChem (CID 10522359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).