8-methyl-7-[(E)-3-phenylprop-2-enoxy]-4-propylchromen-2-one

C22H22O3 — CID 2299144

IUPAC8-methyl-7-[(E)-3-phenylprop-2-enoxy]-4-propylchromen-2-one
SMILESCCCc1cc(=O)oc2c(C)c(OC/C=C/c3ccccc3)ccc12
InChIInChI=1S/C22H22O3/c1-3-8-18-15-21(23)25-22-16(2)20(13-12-19(18)22)24-14-7-11-17-9-5-4-6-10-17/h4-7,9-13,15H,3,8,14H2,1-2H3/b11-7+
InChIKeyIYJPZUVOBVYQAK-YRNVUSSQSA-N
MW334.42 g/mol
LogP5.15
Rot. Bonds6

About 8-methyl-7-[(E)-3-phenylprop-2-enoxy]-4-propylchromen-2-one

8-methyl-7-[(E)-3-phenylprop-2-enoxy]-4-propylchromen-2-one (PubChem CID 2299144) has the molecular formula C22H22O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 8-methyl-7-[(E)-3-phenylprop-2-enoxy]-4-propylchromen-2-one.

Molecular Properties

Compound Name8-methyl-7-[(E)-3-phenylprop-2-enoxy]-4-propylchromen-2-one
PubChem CID2299144
Molecular FormulaC22H22O3
Molecular Weight334.42 g/mol
Exact Mass334.16
IUPAC Name8-methyl-7-[(E)-3-phenylprop-2-enoxy]-4-propylchromen-2-one
SMILESCCCc1cc(=O)oc2c(C)c(OC/C=C/c3ccccc3)ccc12
InChIInChI=1S/C22H22O3/c1-3-8-18-15-21(23)25-22-16(2)20(13-12-19(18)22)24-14-7-11-17-9-5-4-6-10-17/h4-7,9-13,15H,3,8,14H2,1-2H3/b11-7+
InChIKeyIYJPZUVOBVYQAK-YRNVUSSQSA-N
XLogP5.15
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.42
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-methyl-7-prop-2-enoxy-4-propylchromen-2-one
CID 23459774
4-(4-methoxyphenyl)-8-methyl-7-(3-phenylprop-2-enoxy)chromen-2-one
CID 2926955
4-butyl-8-methyl-7-phenylmethoxychromen-2-one
CID 2902407
methyl 2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetate
CID 4914970
methyl 2-[4,8-dimethyl-2-oxo-7-(3-phenylprop-2-enoxy)chromen-3-yl]acetate
CID 2948493
2-[[2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]-2-phenylacetic acid
CID 3731948
6-methyl-4-(3-phenylprop-2-enoxy)pyran-2-one
CID 54300411
2-[[2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]butanedioic acid
CID 71951004
(8-methyl-2-oxo-4-propylchromen-7-yl) furan-2-carboxylate
CID 906606
4-ethyl-7-[(2-fluorophenyl)methoxy]-8-methylchromen-2-one
CID 881970
4-ethyl-8-methyl-7-[(1R)-1-phenylethoxy]chromen-2-one
CID 799848
8-methyl-7-[2-oxo-2-(4-pyrrolidin-1-ylphenyl)ethoxy]-4-propylchromen-2-one
CID 2205601

Frequently Asked Questions

What is the IUPAC name of 8-methyl-7-[(E)-3-phenylprop-2-enoxy]-4-propylchromen-2-one?
The IUPAC name of 8-methyl-7-[(E)-3-phenylprop-2-enoxy]-4-propylchromen-2-one (CID 2299144) is 8-methyl-7-[(E)-3-phenylprop-2-enoxy]-4-propylchromen-2-one.
What is the SMILES notation for 8-methyl-7-[(E)-3-phenylprop-2-enoxy]-4-propylchromen-2-one?
The canonical SMILES for 8-methyl-7-[(E)-3-phenylprop-2-enoxy]-4-propylchromen-2-one is CCCc1cc(=O)oc2c(C)c(OC/C=C/c3ccccc3)ccc12.
What is the InChIKey of 8-methyl-7-[(E)-3-phenylprop-2-enoxy]-4-propylchromen-2-one?
The InChIKey is IYJPZUVOBVYQAK-YRNVUSSQSA-N. The full InChI is InChI=1S/C22H22O3/c1-3-8-18-15-21(23)25-22-16(2)20(13-12-19(18)22)24-14-7-11-17-9-5-4-6-10-17/h4-7,9-13,15H,3,8,14H2,1-2H3/b11-7+.
What are the key properties of 8-methyl-7-[(E)-3-phenylprop-2-enoxy]-4-propylchromen-2-one?
8-methyl-7-[(E)-3-phenylprop-2-enoxy]-4-propylchromen-2-one has a molecular weight of 334.42 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-7-[(E)-3-phenylprop-2-enoxy]-4-propylchromen-2-one is sourced from PubChem (CID 2299144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).