9-methyl-2,4-diphenyl-2H-pyrano[3,2-c]chromen-5-one

C25H18O3 — CID 132943016

IUPAC9-methyl-2,4-diphenyl-2H-pyrano[3,2-c]chromen-5-one
SMILESCc1ccc2oc(=O)c3c(c2c1)OC(c1ccccc1)C=C3c1ccccc1
InChIInChI=1S/C25H18O3/c1-16-12-13-21-20(14-16)24-23(25(26)28-21)19(17-8-4-2-5-9-17)15-22(27-24)18-10-6-3-7-11-18/h2-15,22H,1H3
InChIKeyPXLDGVHJWGOTKE-UHFFFAOYSA-N
MW366.42 g/mol
LogP5.67
Rot. Bonds2

About 9-methyl-2,4-diphenyl-2H-pyrano[3,2-c]chromen-5-one

9-methyl-2,4-diphenyl-2H-pyrano[3,2-c]chromen-5-one (PubChem CID 132943016) has the molecular formula C25H18O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 9-methyl-2,4-diphenyl-2H-pyrano[3,2-c]chromen-5-one.

Molecular Properties

Compound Name9-methyl-2,4-diphenyl-2H-pyrano[3,2-c]chromen-5-one
PubChem CID132943016
Molecular FormulaC25H18O3
Molecular Weight366.42 g/mol
Exact Mass366.13
IUPAC Name9-methyl-2,4-diphenyl-2H-pyrano[3,2-c]chromen-5-one
SMILESCc1ccc2oc(=O)c3c(c2c1)OC(c1ccccc1)C=C3c1ccccc1
InChIInChI=1S/C25H18O3/c1-16-12-13-21-20(14-16)24-23(25(26)28-21)19(17-8-4-2-5-9-17)15-22(27-24)18-10-6-3-7-11-18/h2-15,22H,1H3
InChIKeyPXLDGVHJWGOTKE-UHFFFAOYSA-N
XLogP5.67
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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3-iodo-6-methyl-2-phenylchromen-4-one
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2-hydroxy-3-(4-hydroxy-6-methyl-2-oxochromen-3-yl)-8-methyl-2,3-dihydrofuro[3,2-c]chromen-4-one
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4,6-dimethyl-3,7-diphenylpyrano[3,2-g]chromene-2,8-dione
CID 3437445
3-(3-bromophenyl)-4-methylchromen-2-one
CID 688765
2-(2-methoxyethylamino)-8-methyl-3-phenylfuro[3,2-c]chromen-4-one
CID 8741329
2-methylxanthen-9-one;xanthen-9-one
CID 70546954
5-methyl-2-phenyl-1-benzofuran-3-ol
CID 71372497
13-(4-hydroxy-6-methyl-2-oxochromen-3-yl)-6,20-dimethyl-2,10,16-trioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,17(22),18,20-octaene-11,15-dione
CID 54716867
10-iodo-2-methyl-6b,7,8,9,10,10a-hexahydro-[1]benzofuro[3,2-c]chromen-6-one
CID 23656865

Frequently Asked Questions

What is the IUPAC name of 9-methyl-2,4-diphenyl-2H-pyrano[3,2-c]chromen-5-one?
The IUPAC name of 9-methyl-2,4-diphenyl-2H-pyrano[3,2-c]chromen-5-one (CID 132943016) is 9-methyl-2,4-diphenyl-2H-pyrano[3,2-c]chromen-5-one.
What is the SMILES notation for 9-methyl-2,4-diphenyl-2H-pyrano[3,2-c]chromen-5-one?
The canonical SMILES for 9-methyl-2,4-diphenyl-2H-pyrano[3,2-c]chromen-5-one is Cc1ccc2oc(=O)c3c(c2c1)OC(c1ccccc1)C=C3c1ccccc1.
What is the InChIKey of 9-methyl-2,4-diphenyl-2H-pyrano[3,2-c]chromen-5-one?
The InChIKey is PXLDGVHJWGOTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18O3/c1-16-12-13-21-20(14-16)24-23(25(26)28-21)19(17-8-4-2-5-9-17)15-22(27-24)18-10-6-3-7-11-18/h2-15,22H,1H3.
What are the key properties of 9-methyl-2,4-diphenyl-2H-pyrano[3,2-c]chromen-5-one?
9-methyl-2,4-diphenyl-2H-pyrano[3,2-c]chromen-5-one has a molecular weight of 366.42 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2,4-diphenyl-2H-pyrano[3,2-c]chromen-5-one is sourced from PubChem (CID 132943016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).