3-(7-methyl-2-oxochromen-4-yl)-5-prop-2-enoxy-5H-pyrano[3,2-c]chromen-2-one

C25H18O6 — CID 25108248

IUPAC3-(7-methyl-2-oxochromen-4-yl)-5-prop-2-enoxy-5H-pyrano[3,2-c]chromen-2-one
SMILESC=CCOC1Oc2ccccc2-c2oc(=O)c(-c3cc(=O)oc4cc(C)ccc34)cc21
InChIInChI=1S/C25H18O6/c1-3-10-28-25-19-12-18(17-13-22(26)29-21-11-14(2)8-9-15(17)21)24(27)31-23(19)16-6-4-5-7-20(16)30-25/h3-9,11-13,25H,1,10H2,2H3
InChIKeyVOHVYYOXXZKMHQ-UHFFFAOYSA-N
MW414.41 g/mol
LogP4.98
Rot. Bonds4

About 3-(7-methyl-2-oxochromen-4-yl)-5-prop-2-enoxy-5H-pyrano[3,2-c]chromen-2-one

3-(7-methyl-2-oxochromen-4-yl)-5-prop-2-enoxy-5H-pyrano[3,2-c]chromen-2-one (PubChem CID 25108248) has the molecular formula C25H18O6 and a molecular weight of 414.41 g/mol. Its IUPAC name is 3-(7-methyl-2-oxochromen-4-yl)-5-prop-2-enoxy-5H-pyrano[3,2-c]chromen-2-one.

Molecular Properties

Compound Name3-(7-methyl-2-oxochromen-4-yl)-5-prop-2-enoxy-5H-pyrano[3,2-c]chromen-2-one
PubChem CID25108248
Molecular FormulaC25H18O6
Molecular Weight414.41 g/mol
Exact Mass414.11
IUPAC Name3-(7-methyl-2-oxochromen-4-yl)-5-prop-2-enoxy-5H-pyrano[3,2-c]chromen-2-one
SMILESC=CCOC1Oc2ccccc2-c2oc(=O)c(-c3cc(=O)oc4cc(C)ccc34)cc21
InChIInChI=1S/C25H18O6/c1-3-10-28-25-19-12-18(17-13-22(26)29-21-11-14(2)8-9-15(17)21)24(27)31-23(19)16-6-4-5-7-20(16)30-25/h3-9,11-13,25H,1,10H2,2H3
InChIKeyVOHVYYOXXZKMHQ-UHFFFAOYSA-N
XLogP4.98
TPSA78.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.41
LogP ≤ 54.98
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'}

Analyze 3-(7-methyl-2-oxochromen-4-yl)-5-prop-2-enoxy-5H-pyrano[3,2-c]chromen-2-one with MolForge

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Related Compounds

5-ethoxy-9-methyl-3-(7-methyl-2-oxochromen-4-yl)-5H-pyrano[3,2-c]chromen-2-one
CID 25108252
5-methoxy-7-methyl-3-(7-methyl-2-oxochromen-4-yl)-10aH-pyrano[2,3-b]chromen-2-one
CID 25108480
5-ethoxy-3-(6-methyl-2-oxochromen-4-yl)-10aH-pyrano[2,3-b]chromen-2-one
CID 25108312
4-ethoxy-7-methylchromen-2-one
CID 688944
6-ethenyl-10-hydroxy-6H-chromeno[4,3-b]chromen-7-one
CID 135027990
4-methyl-7-(4-methylphenyl)chromen-2-one
CID 131978430
7-cyclopropyl-4-(2-methylphenyl)chromen-2-one;formamide
CID 167499260
6-methyl-3-(6-methyl-2-oxochromen-4-yl)chromen-2-one
CID 139087005
ethyl 2-[4-(2-fluorophenyl)-2-oxochromen-7-yl]-3-oxopropanoate
CID 175039392
5-[(5-ethoxy-2-oxochromen-4-yl)methoxy]-3-[(5-hydroxy-2-oxochromen-4-yl)methyl]-9-[(7-hydroxy-2-oxochromen-4-yl)methyl]-5H-pyrano[3,2-c]chromen-2-one
CID 139223194
1-[(7-methyl-2-oxochromen-4-yl)methyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 18290113
7-cyclopropyl-4-(2-methylphenyl)chromen-2-one
CID 167498753

Frequently Asked Questions

What is the IUPAC name of 3-(7-methyl-2-oxochromen-4-yl)-5-prop-2-enoxy-5H-pyrano[3,2-c]chromen-2-one?
The IUPAC name of 3-(7-methyl-2-oxochromen-4-yl)-5-prop-2-enoxy-5H-pyrano[3,2-c]chromen-2-one (CID 25108248) is 3-(7-methyl-2-oxochromen-4-yl)-5-prop-2-enoxy-5H-pyrano[3,2-c]chromen-2-one.
What is the SMILES notation for 3-(7-methyl-2-oxochromen-4-yl)-5-prop-2-enoxy-5H-pyrano[3,2-c]chromen-2-one?
The canonical SMILES for 3-(7-methyl-2-oxochromen-4-yl)-5-prop-2-enoxy-5H-pyrano[3,2-c]chromen-2-one is C=CCOC1Oc2ccccc2-c2oc(=O)c(-c3cc(=O)oc4cc(C)ccc34)cc21.
What is the InChIKey of 3-(7-methyl-2-oxochromen-4-yl)-5-prop-2-enoxy-5H-pyrano[3,2-c]chromen-2-one?
The InChIKey is VOHVYYOXXZKMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18O6/c1-3-10-28-25-19-12-18(17-13-22(26)29-21-11-14(2)8-9-15(17)21)24(27)31-23(19)16-6-4-5-7-20(16)30-25/h3-9,11-13,25H,1,10H2,2H3.
What are the key properties of 3-(7-methyl-2-oxochromen-4-yl)-5-prop-2-enoxy-5H-pyrano[3,2-c]chromen-2-one?
3-(7-methyl-2-oxochromen-4-yl)-5-prop-2-enoxy-5H-pyrano[3,2-c]chromen-2-one has a molecular weight of 414.41 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methyl-2-oxochromen-4-yl)-5-prop-2-enoxy-5H-pyrano[3,2-c]chromen-2-one is sourced from PubChem (CID 25108248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).