3-(4-methyl-2-oxochromen-7-yl)oxy-7-prop-2-enoxychromen-4-one

C22H16O6 — CID 23988699

IUPAC3-(4-methyl-2-oxochromen-7-yl)oxy-7-prop-2-enoxychromen-4-one
SMILESC=CCOc1ccc2c(=O)c(Oc3ccc4c(C)cc(=O)oc4c3)coc2c1
InChIInChI=1S/C22H16O6/c1-3-8-25-14-4-7-17-18(10-14)26-12-20(22(17)24)27-15-5-6-16-13(2)9-21(23)28-19(16)11-15/h3-7,9-12H,1,8H2,2H3
InChIKeySFGZTPLVWFEROS-UHFFFAOYSA-N
MW376.36 g/mol
LogP4.56
Rot. Bonds5

About 3-(4-methyl-2-oxochromen-7-yl)oxy-7-prop-2-enoxychromen-4-one

3-(4-methyl-2-oxochromen-7-yl)oxy-7-prop-2-enoxychromen-4-one (PubChem CID 23988699) has the molecular formula C22H16O6 and a molecular weight of 376.36 g/mol. Its IUPAC name is 3-(4-methyl-2-oxochromen-7-yl)oxy-7-prop-2-enoxychromen-4-one.

Molecular Properties

Compound Name3-(4-methyl-2-oxochromen-7-yl)oxy-7-prop-2-enoxychromen-4-one
PubChem CID23988699
Molecular FormulaC22H16O6
Molecular Weight376.36 g/mol
Exact Mass376.09
IUPAC Name3-(4-methyl-2-oxochromen-7-yl)oxy-7-prop-2-enoxychromen-4-one
SMILESC=CCOc1ccc2c(=O)c(Oc3ccc4c(C)cc(=O)oc4c3)coc2c1
InChIInChI=1S/C22H16O6/c1-3-8-25-14-4-7-17-18(10-14)26-12-20(22(17)24)27-15-5-6-16-13(2)9-21(23)28-19(16)11-15/h3-7,9-12H,1,8H2,2H3
InChIKeySFGZTPLVWFEROS-UHFFFAOYSA-N
XLogP4.56
TPSA78.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-7-prop-2-enoxychromen-2-one
CID 20566397
[3-(4-methyl-2-oxochromen-7-yl)oxy-4-oxochromen-7-yl] 2-methyl-3-nitrobenzoate
CID 23856069
3-(3,5-dimethylphenoxy)-7-ethoxychromen-4-one
CID 709023
7-ethoxy-3-(4-methoxyphenoxy)chromen-4-one
CID 719937
methyl 4-[4-oxo-7-(2-oxo-2-prop-2-enoxyethoxy)chromen-3-yl]oxybenzoate
CID 2000754
7-[(2-chloro-5-methyl-4-pyridinyl)oxy]-4-methylchromen-2-one
CID 83269220
3-(4-methyl-2-oxochromen-7-yl)oxypropyl prop-2-enoate
CID 166523791
2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 4616193
4-methyl-7-phenylmethoxychromen-2-one
CID 728520
5-methoxy-4-methyl-7-prop-2-enoxychromen-2-one
CID 12900454
4-methyl-7-(2-oxobutoxy)chromen-2-one
CID 62038518
(4-acetylphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7741120

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2-oxochromen-7-yl)oxy-7-prop-2-enoxychromen-4-one?
The IUPAC name of 3-(4-methyl-2-oxochromen-7-yl)oxy-7-prop-2-enoxychromen-4-one (CID 23988699) is 3-(4-methyl-2-oxochromen-7-yl)oxy-7-prop-2-enoxychromen-4-one.
What is the SMILES notation for 3-(4-methyl-2-oxochromen-7-yl)oxy-7-prop-2-enoxychromen-4-one?
The canonical SMILES for 3-(4-methyl-2-oxochromen-7-yl)oxy-7-prop-2-enoxychromen-4-one is C=CCOc1ccc2c(=O)c(Oc3ccc4c(C)cc(=O)oc4c3)coc2c1.
What is the InChIKey of 3-(4-methyl-2-oxochromen-7-yl)oxy-7-prop-2-enoxychromen-4-one?
The InChIKey is SFGZTPLVWFEROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O6/c1-3-8-25-14-4-7-17-18(10-14)26-12-20(22(17)24)27-15-5-6-16-13(2)9-21(23)28-19(16)11-15/h3-7,9-12H,1,8H2,2H3.
What are the key properties of 3-(4-methyl-2-oxochromen-7-yl)oxy-7-prop-2-enoxychromen-4-one?
3-(4-methyl-2-oxochromen-7-yl)oxy-7-prop-2-enoxychromen-4-one has a molecular weight of 376.36 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2-oxochromen-7-yl)oxy-7-prop-2-enoxychromen-4-one is sourced from PubChem (CID 23988699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).