4-methyl-7,8-bis(prop-2-enoxy)chromen-2-one

C16H16O4 — CID 3998544

IUPAC4-methyl-7,8-bis(prop-2-enoxy)chromen-2-one
SMILESC=CCOc1ccc2c(C)cc(=O)oc2c1OCC=C
InChIInChI=1S/C16H16O4/c1-4-8-18-13-7-6-12-11(3)10-14(17)20-15(12)16(13)19-9-5-2/h4-7,10H,1-2,8-9H2,3H3
InChIKeyQBYOWNZWCWIXGL-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.23
Rot. Bonds6

About 4-methyl-7,8-bis(prop-2-enoxy)chromen-2-one

4-methyl-7,8-bis(prop-2-enoxy)chromen-2-one (PubChem CID 3998544) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-methyl-7,8-bis(prop-2-enoxy)chromen-2-one.

Molecular Properties

Compound Name4-methyl-7,8-bis(prop-2-enoxy)chromen-2-one
PubChem CID3998544
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name4-methyl-7,8-bis(prop-2-enoxy)chromen-2-one
SMILESC=CCOc1ccc2c(C)cc(=O)oc2c1OCC=C
InChIInChI=1S/C16H16O4/c1-4-8-18-13-7-6-12-11(3)10-14(17)20-15(12)16(13)19-9-5-2/h4-7,10H,1-2,8-9H2,3H3
InChIKeyQBYOWNZWCWIXGL-UHFFFAOYSA-N
XLogP3.23
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(8-methoxy-4-methyl-2-oxochromen-7-yl)oxyacetaldehyde
CID 46703953
8-[3-(4-chlorophenyl)prop-2-enoyl]-4-methyl-7-prop-2-enoxychromen-2-one
CID 86586316
7,8-bis[2-(2-hydroxyethoxy)ethoxy]-4-methylchromen-2-one
CID 25146352
8-methyl-7-prop-2-enoxy-4-propylchromen-2-one
CID 23459774
4,8-dimethyl-2-oxo-7-prop-2-enoxychromene-6-diazonium
CID 15475388
8-iodo-4-methyl-7-propoxychromen-2-one
CID 2209642
(4-methyl-2-oxo-7-phosphonooxychromen-8-yl) dihydrogen phosphate
CID 56839869
8-iodo-4-methyl-7-(2-oxopropoxy)chromen-2-one
CID 1369817
[4-methyl-8-(morpholin-4-ylmethyl)-2-oxochromen-7-yl] prop-2-enoate
CID 909765
3-(4-methyl-2-oxochromen-7-yl)oxy-7-prop-2-enoxychromen-4-one
CID 23988699
4,8-dimethyl-7-(3-oxobutan-2-yloxy)chromen-2-one
CID 4914824
(4,8-dimethyl-2-oxochromen-7-yl) dihydrogen phosphate
CID 56839646

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7,8-bis(prop-2-enoxy)chromen-2-one?
The IUPAC name of 4-methyl-7,8-bis(prop-2-enoxy)chromen-2-one (CID 3998544) is 4-methyl-7,8-bis(prop-2-enoxy)chromen-2-one.
What is the SMILES notation for 4-methyl-7,8-bis(prop-2-enoxy)chromen-2-one?
The canonical SMILES for 4-methyl-7,8-bis(prop-2-enoxy)chromen-2-one is C=CCOc1ccc2c(C)cc(=O)oc2c1OCC=C.
What is the InChIKey of 4-methyl-7,8-bis(prop-2-enoxy)chromen-2-one?
The InChIKey is QBYOWNZWCWIXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-4-8-18-13-7-6-12-11(3)10-14(17)20-15(12)16(13)19-9-5-2/h4-7,10H,1-2,8-9H2,3H3.
What are the key properties of 4-methyl-7,8-bis(prop-2-enoxy)chromen-2-one?
4-methyl-7,8-bis(prop-2-enoxy)chromen-2-one has a molecular weight of 272.30 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7,8-bis(prop-2-enoxy)chromen-2-one is sourced from PubChem (CID 3998544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).