8-methyl-7-prop-2-enoxy-4-propylchromen-2-one

C16H18O3 — CID 23459774

IUPAC8-methyl-7-prop-2-enoxy-4-propylchromen-2-one
SMILESC=CCOc1ccc2c(CCC)cc(=O)oc2c1C
InChIInChI=1S/C16H18O3/c1-4-6-12-10-15(17)19-16-11(3)14(18-9-5-2)8-7-13(12)16/h5,7-8,10H,2,4,6,9H2,1,3H3
InChIKeyUPPNCUIYVJLKNF-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.62
Rot. Bonds5

About 8-methyl-7-prop-2-enoxy-4-propylchromen-2-one

8-methyl-7-prop-2-enoxy-4-propylchromen-2-one (PubChem CID 23459774) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 8-methyl-7-prop-2-enoxy-4-propylchromen-2-one.

Molecular Properties

Compound Name8-methyl-7-prop-2-enoxy-4-propylchromen-2-one
PubChem CID23459774
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name8-methyl-7-prop-2-enoxy-4-propylchromen-2-one
SMILESC=CCOc1ccc2c(CCC)cc(=O)oc2c1C
InChIInChI=1S/C16H18O3/c1-4-6-12-10-15(17)19-16-11(3)14(18-9-5-2)8-7-13(12)16/h5,7-8,10H,2,4,6,9H2,1,3H3
InChIKeyUPPNCUIYVJLKNF-UHFFFAOYSA-N
XLogP3.62
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.62
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

8-methyl-7-[(E)-3-phenylprop-2-enoxy]-4-propylchromen-2-one
CID 2299144
methyl 2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetate
CID 4914970
(8-methyl-2-oxo-4-propylchromen-7-yl) furan-2-carboxylate
CID 906606
7-[(4-ethenylphenyl)methoxy]-4-ethyl-8-methylchromen-2-one
CID 883551
4-butyl-8-methyl-7-phenylmethoxychromen-2-one
CID 2902407
4-methyl-7,8-bis(prop-2-enoxy)chromen-2-one
CID 3998544
2-[[2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]butanedioic acid
CID 71951004
8-methyl-7-[2-oxo-2-(4-pyrrolidin-1-ylphenyl)ethoxy]-4-propylchromen-2-one
CID 2205601
2-[[2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]-2-phenylacetic acid
CID 3731948
2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetamide
CID 770817
propyl 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetate
CID 2271747
8-methoxy-4-propylchromen-2-one
CID 42602895

Frequently Asked Questions

What is the IUPAC name of 8-methyl-7-prop-2-enoxy-4-propylchromen-2-one?
The IUPAC name of 8-methyl-7-prop-2-enoxy-4-propylchromen-2-one (CID 23459774) is 8-methyl-7-prop-2-enoxy-4-propylchromen-2-one.
What is the SMILES notation for 8-methyl-7-prop-2-enoxy-4-propylchromen-2-one?
The canonical SMILES for 8-methyl-7-prop-2-enoxy-4-propylchromen-2-one is C=CCOc1ccc2c(CCC)cc(=O)oc2c1C.
What is the InChIKey of 8-methyl-7-prop-2-enoxy-4-propylchromen-2-one?
The InChIKey is UPPNCUIYVJLKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-4-6-12-10-15(17)19-16-11(3)14(18-9-5-2)8-7-13(12)16/h5,7-8,10H,2,4,6,9H2,1,3H3.
What are the key properties of 8-methyl-7-prop-2-enoxy-4-propylchromen-2-one?
8-methyl-7-prop-2-enoxy-4-propylchromen-2-one has a molecular weight of 258.32 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-7-prop-2-enoxy-4-propylchromen-2-one is sourced from PubChem (CID 23459774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).