5-ethoxy-3-(6-methyl-2-oxochromen-4-yl)-10aH-pyrano[2,3-b]chromen-2-one

C24H18O6 — CID 25108312

IUPAC5-ethoxy-3-(6-methyl-2-oxochromen-4-yl)-10aH-pyrano[2,3-b]chromen-2-one
SMILESCCOC1=C2C=C(c3cc(=O)oc4ccc(C)cc34)C(=O)OC2Oc2ccccc21
InChIInChI=1S/C24H18O6/c1-3-27-22-14-6-4-5-7-19(14)29-24-18(22)11-17(23(26)30-24)15-12-21(25)28-20-9-8-13(2)10-16(15)20/h4-12,24H,3H2,1-2H3
InChIKeyQUICHJOBVAYSNL-UHFFFAOYSA-N
MW402.40 g/mol
LogP4.21
Rot. Bonds3

About 5-ethoxy-3-(6-methyl-2-oxochromen-4-yl)-10aH-pyrano[2,3-b]chromen-2-one

5-ethoxy-3-(6-methyl-2-oxochromen-4-yl)-10aH-pyrano[2,3-b]chromen-2-one (PubChem CID 25108312) has the molecular formula C24H18O6 and a molecular weight of 402.40 g/mol. Its IUPAC name is 5-ethoxy-3-(6-methyl-2-oxochromen-4-yl)-10aH-pyrano[2,3-b]chromen-2-one.

Molecular Properties

Compound Name5-ethoxy-3-(6-methyl-2-oxochromen-4-yl)-10aH-pyrano[2,3-b]chromen-2-one
PubChem CID25108312
Molecular FormulaC24H18O6
Molecular Weight402.40 g/mol
Exact Mass402.11
IUPAC Name5-ethoxy-3-(6-methyl-2-oxochromen-4-yl)-10aH-pyrano[2,3-b]chromen-2-one
SMILESCCOC1=C2C=C(c3cc(=O)oc4ccc(C)cc34)C(=O)OC2Oc2ccccc21
InChIInChI=1S/C24H18O6/c1-3-27-22-14-6-4-5-7-19(14)29-24-18(22)11-17(23(26)30-24)15-12-21(25)28-20-9-8-13(2)10-16(15)20/h4-12,24H,3H2,1-2H3
InChIKeyQUICHJOBVAYSNL-UHFFFAOYSA-N
XLogP4.21
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-7-methyl-3-(7-methyl-2-oxochromen-4-yl)-10aH-pyrano[2,3-b]chromen-2-one
CID 25108480
4-ethoxy-7-methylchromen-2-one
CID 688944
4-ethoxychromen-2-one
CID 688703
4-butyl-6-methylchromen-2-one
CID 6613364
6-methyl-4-(1-methylindol-3-yl)chromen-2-one
CID 132548044
3-(7-methyl-2-oxochromen-4-yl)-5-prop-2-enoxy-5H-pyrano[3,2-c]chromen-2-one
CID 25108248
6-methyl-3-(6-methyl-2-oxochromen-4-yl)chromen-2-one
CID 139087005
4,6-dimethylchromen-2-one;molecular hydrogen
CID 143310046
2-(2-ethoxyphenyl)-6-methyl-3,1-benzoxazin-4-one
CID 9320225
7-ethoxy-6-ethyl-4-phenylchromen-2-one
CID 2888002
6-methyl-4-[(2,4,6-tribromophenoxy)methyl]chromen-2-one
CID 25194311
4-butyl-6-methylchromen-2-one;formonitrile
CID 6613363

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-(6-methyl-2-oxochromen-4-yl)-10aH-pyrano[2,3-b]chromen-2-one?
The IUPAC name of 5-ethoxy-3-(6-methyl-2-oxochromen-4-yl)-10aH-pyrano[2,3-b]chromen-2-one (CID 25108312) is 5-ethoxy-3-(6-methyl-2-oxochromen-4-yl)-10aH-pyrano[2,3-b]chromen-2-one.
What is the SMILES notation for 5-ethoxy-3-(6-methyl-2-oxochromen-4-yl)-10aH-pyrano[2,3-b]chromen-2-one?
The canonical SMILES for 5-ethoxy-3-(6-methyl-2-oxochromen-4-yl)-10aH-pyrano[2,3-b]chromen-2-one is CCOC1=C2C=C(c3cc(=O)oc4ccc(C)cc34)C(=O)OC2Oc2ccccc21.
What is the InChIKey of 5-ethoxy-3-(6-methyl-2-oxochromen-4-yl)-10aH-pyrano[2,3-b]chromen-2-one?
The InChIKey is QUICHJOBVAYSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O6/c1-3-27-22-14-6-4-5-7-19(14)29-24-18(22)11-17(23(26)30-24)15-12-21(25)28-20-9-8-13(2)10-16(15)20/h4-12,24H,3H2,1-2H3.
What are the key properties of 5-ethoxy-3-(6-methyl-2-oxochromen-4-yl)-10aH-pyrano[2,3-b]chromen-2-one?
5-ethoxy-3-(6-methyl-2-oxochromen-4-yl)-10aH-pyrano[2,3-b]chromen-2-one has a molecular weight of 402.40 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-(6-methyl-2-oxochromen-4-yl)-10aH-pyrano[2,3-b]chromen-2-one is sourced from PubChem (CID 25108312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).