2-methoxy-2-methyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromen-5-one

C20H18O4 — CID 10606

IUPAC2-methoxy-2-methyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromen-5-one
SMILESCOC1(C)CC(c2ccccc2)c2c(c3ccccc3oc2=O)O1
InChIInChI=1S/C20H18O4/c1-20(22-2)12-15(13-8-4-3-5-9-13)17-18(24-20)14-10-6-7-11-16(14)23-19(17)21/h3-11,15H,12H2,1-2H3
InChIKeyZGFASEKBKWVCGP-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.07
Rot. Bonds2

About 2-methoxy-2-methyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromen-5-one

2-methoxy-2-methyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromen-5-one (PubChem CID 10606) has the molecular formula C20H18O4 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-methoxy-2-methyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromen-5-one.

Molecular Properties

Compound Name2-methoxy-2-methyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromen-5-one
PubChem CID10606
Molecular FormulaC20H18O4
Molecular Weight322.36 g/mol
Exact Mass322.12
IUPAC Name2-methoxy-2-methyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromen-5-one
SMILESCOC1(C)CC(c2ccccc2)c2c(c3ccccc3oc2=O)O1
InChIInChI=1S/C20H18O4/c1-20(22-2)12-15(13-8-4-3-5-9-13)17-18(24-20)14-10-6-7-11-16(14)23-19(17)21/h3-11,15H,12H2,1-2H3
InChIKeyZGFASEKBKWVCGP-UHFFFAOYSA-N
XLogP4.07
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Phenprocoumon
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Warfarin Potassium
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(S)-Warfarin
CID 54688261
(R)-Warfarin
CID 54684598
3,3'-(4-Isopropylbenzylidene)bis(4-hydroxycoumarin)
CID 54677783
S,R-Warfarin alcohol
CID 54723704
R,S-Warfarin alcohol
CID 54736486
7-(4-hydroxy-2-oxo-2H-chromen-3-yl)-6H,7H-chromeno[4,3-b]chromen-6-one
CID 54692153
7-Hydroxywarfarin
CID 54682507
6-Methyl-4-phenyl-3,4-dihydrochromen-2-one
CID 3791643

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromen-5-one?
The IUPAC name of 2-methoxy-2-methyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromen-5-one (CID 10606) is 2-methoxy-2-methyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromen-5-one.
What is the SMILES notation for 2-methoxy-2-methyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromen-5-one?
The canonical SMILES for 2-methoxy-2-methyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromen-5-one is COC1(C)CC(c2ccccc2)c2c(c3ccccc3oc2=O)O1.
What is the InChIKey of 2-methoxy-2-methyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromen-5-one?
The InChIKey is ZGFASEKBKWVCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O4/c1-20(22-2)12-15(13-8-4-3-5-9-13)17-18(24-20)14-10-6-7-11-16(14)23-19(17)21/h3-11,15H,12H2,1-2H3.
What are the key properties of 2-methoxy-2-methyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromen-5-one?
2-methoxy-2-methyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromen-5-one has a molecular weight of 322.36 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromen-5-one is sourced from PubChem (CID 10606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).