5-methoxy-7-methyl-3-(7-methyl-2-oxochromen-4-yl)-10aH-pyrano[2,3-b]chromen-2-one

C24H18O6 — CID 25108480

IUPAC5-methoxy-7-methyl-3-(7-methyl-2-oxochromen-4-yl)-10aH-pyrano[2,3-b]chromen-2-one
SMILESCOC1=C2C=C(c3cc(=O)oc4cc(C)ccc34)C(=O)OC2Oc2ccc(C)cc21
InChIInChI=1S/C24H18O6/c1-12-5-7-19-17(8-12)22(27-3)18-10-16(23(26)30-24(18)29-19)15-11-21(25)28-20-9-13(2)4-6-14(15)20/h4-11,24H,1-3H3
InChIKeyRYESLSSTHKOGCB-UHFFFAOYSA-N
MW402.40 g/mol
LogP4.13
Rot. Bonds2

About 5-methoxy-7-methyl-3-(7-methyl-2-oxochromen-4-yl)-10aH-pyrano[2,3-b]chromen-2-one

5-methoxy-7-methyl-3-(7-methyl-2-oxochromen-4-yl)-10aH-pyrano[2,3-b]chromen-2-one (PubChem CID 25108480) has the molecular formula C24H18O6 and a molecular weight of 402.40 g/mol. Its IUPAC name is 5-methoxy-7-methyl-3-(7-methyl-2-oxochromen-4-yl)-10aH-pyrano[2,3-b]chromen-2-one.

Molecular Properties

Compound Name5-methoxy-7-methyl-3-(7-methyl-2-oxochromen-4-yl)-10aH-pyrano[2,3-b]chromen-2-one
PubChem CID25108480
Molecular FormulaC24H18O6
Molecular Weight402.40 g/mol
Exact Mass402.11
IUPAC Name5-methoxy-7-methyl-3-(7-methyl-2-oxochromen-4-yl)-10aH-pyrano[2,3-b]chromen-2-one
SMILESCOC1=C2C=C(c3cc(=O)oc4cc(C)ccc34)C(=O)OC2Oc2ccc(C)cc21
InChIInChI=1S/C24H18O6/c1-12-5-7-19-17(8-12)22(27-3)18-10-16(23(26)30-24(18)29-19)15-11-21(25)28-20-9-13(2)4-6-14(15)20/h4-11,24H,1-3H3
InChIKeyRYESLSSTHKOGCB-UHFFFAOYSA-N
XLogP4.13
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 54.13
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-ethoxy-3-(6-methyl-2-oxochromen-4-yl)-10aH-pyrano[2,3-b]chromen-2-one
CID 25108312
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CID 25108252
3-(7-methyl-2-oxochromen-4-yl)-5-prop-2-enoxy-5H-pyrano[3,2-c]chromen-2-one
CID 25108248
4-ethoxy-7-methylchromen-2-one
CID 688944
7-methyl-4-(methylaminomethyl)chromen-2-one
CID 27153679
6-(7-methyl-2-oxochromen-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-one
CID 11716580
7-methyl-4-propan-2-ylchromen-2-one
CID 89182688
4-[(E)-2-(4-methoxyphenyl)ethenyl]-7-methylchromen-2-one
CID 15092135
7-methyl-2-oxochromene-4-carboxylic acid
CID 12820478
4,8-dimethyl-[1]benzofuro[3,2-g]chromen-2-one
CID 125486556
7-ethoxy-4-phenylchromen-2-one
CID 678937
(7-methyl-2-oxochromen-4-yl)methyl 3-acetamidobenzoate
CID 2582002

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-7-methyl-3-(7-methyl-2-oxochromen-4-yl)-10aH-pyrano[2,3-b]chromen-2-one?
The IUPAC name of 5-methoxy-7-methyl-3-(7-methyl-2-oxochromen-4-yl)-10aH-pyrano[2,3-b]chromen-2-one (CID 25108480) is 5-methoxy-7-methyl-3-(7-methyl-2-oxochromen-4-yl)-10aH-pyrano[2,3-b]chromen-2-one.
What is the SMILES notation for 5-methoxy-7-methyl-3-(7-methyl-2-oxochromen-4-yl)-10aH-pyrano[2,3-b]chromen-2-one?
The canonical SMILES for 5-methoxy-7-methyl-3-(7-methyl-2-oxochromen-4-yl)-10aH-pyrano[2,3-b]chromen-2-one is COC1=C2C=C(c3cc(=O)oc4cc(C)ccc34)C(=O)OC2Oc2ccc(C)cc21.
What is the InChIKey of 5-methoxy-7-methyl-3-(7-methyl-2-oxochromen-4-yl)-10aH-pyrano[2,3-b]chromen-2-one?
The InChIKey is RYESLSSTHKOGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O6/c1-12-5-7-19-17(8-12)22(27-3)18-10-16(23(26)30-24(18)29-19)15-11-21(25)28-20-9-13(2)4-6-14(15)20/h4-11,24H,1-3H3.
What are the key properties of 5-methoxy-7-methyl-3-(7-methyl-2-oxochromen-4-yl)-10aH-pyrano[2,3-b]chromen-2-one?
5-methoxy-7-methyl-3-(7-methyl-2-oxochromen-4-yl)-10aH-pyrano[2,3-b]chromen-2-one has a molecular weight of 402.40 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-7-methyl-3-(7-methyl-2-oxochromen-4-yl)-10aH-pyrano[2,3-b]chromen-2-one is sourced from PubChem (CID 25108480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).