7-(2-methylprop-2-enoxy)-4-phenylchromen-2-one

C19H16O3 — CID 701624

IUPAC7-(2-methylprop-2-enoxy)-4-phenylchromen-2-one
SMILESC=C(C)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C19H16O3/c1-13(2)12-21-15-8-9-16-17(14-6-4-3-5-7-14)11-19(20)22-18(16)10-15/h3-11H,1,12H2,2H3
InChIKeyJWHGCZOESVRVIZ-UHFFFAOYSA-N
MW292.33 g/mol
LogP4.41
Rot. Bonds4

About 7-(2-methylprop-2-enoxy)-4-phenylchromen-2-one

7-(2-methylprop-2-enoxy)-4-phenylchromen-2-one (PubChem CID 701624) has the molecular formula C19H16O3 and a molecular weight of 292.33 g/mol. Its IUPAC name is 7-(2-methylprop-2-enoxy)-4-phenylchromen-2-one.

Molecular Properties

Compound Name7-(2-methylprop-2-enoxy)-4-phenylchromen-2-one
PubChem CID701624
Molecular FormulaC19H16O3
Molecular Weight292.33 g/mol
Exact Mass292.11
IUPAC Name7-(2-methylprop-2-enoxy)-4-phenylchromen-2-one
SMILESC=C(C)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C19H16O3/c1-13(2)12-21-15-8-9-16-17(14-6-4-3-5-7-14)11-19(20)22-18(16)10-15/h3-11H,1,12H2,2H3
InChIKeyJWHGCZOESVRVIZ-UHFFFAOYSA-N
XLogP4.41
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-[(2E)-2-hydroxyiminopropoxy]-4-phenylchromen-2-one
CID 5416833
7-ethoxy-4-phenylchromen-2-one
CID 678937
tert-butyl 2-(2-oxo-4-phenylchromen-7-yl)oxyacetate
CID 988853
7-[(2E)-2-hydroxyimino-2-phenylethoxy]-4-phenylchromen-2-one
CID 6371350
(2R)-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]propanoic acid
CID 5428805
N-methyl-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]acetamide
CID 8806134
(2-oxo-4-phenylchromen-7-yl) 2-(4-methoxyphenoxy)acetate
CID 8839258
7-[2-(azocan-1-yl)-2-oxoethoxy]-4-phenylchromen-2-one
CID 8806120
ethyl N-[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]carbamate
CID 7996380
7-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-4-phenylchromen-2-one
CID 7420701
3-(2-methylprop-2-enoxy)benzo[c]chromen-6-one
CID 721848
N-(1,3-dioxoisoindol-2-yl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
CID 155543658

Frequently Asked Questions

What is the IUPAC name of 7-(2-methylprop-2-enoxy)-4-phenylchromen-2-one?
The IUPAC name of 7-(2-methylprop-2-enoxy)-4-phenylchromen-2-one (CID 701624) is 7-(2-methylprop-2-enoxy)-4-phenylchromen-2-one.
What is the SMILES notation for 7-(2-methylprop-2-enoxy)-4-phenylchromen-2-one?
The canonical SMILES for 7-(2-methylprop-2-enoxy)-4-phenylchromen-2-one is C=C(C)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1.
What is the InChIKey of 7-(2-methylprop-2-enoxy)-4-phenylchromen-2-one?
The InChIKey is JWHGCZOESVRVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O3/c1-13(2)12-21-15-8-9-16-17(14-6-4-3-5-7-14)11-19(20)22-18(16)10-15/h3-11H,1,12H2,2H3.
What are the key properties of 7-(2-methylprop-2-enoxy)-4-phenylchromen-2-one?
7-(2-methylprop-2-enoxy)-4-phenylchromen-2-one has a molecular weight of 292.33 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylprop-2-enoxy)-4-phenylchromen-2-one is sourced from PubChem (CID 701624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).