4-methyl-4-(4-methyl-2-oxo-3H-chromen-4-yl)-3H-chromen-2-one

C20H18O4 — CID 10914246

IUPAC4-methyl-4-(4-methyl-2-oxo-3H-chromen-4-yl)-3H-chromen-2-one
SMILESCC1(C2(C)CC(=O)Oc3ccccc32)CC(=O)Oc2ccccc21
InChIInChI=1S/C20H18O4/c1-19(11-17(21)23-15-9-5-3-7-13(15)19)20(2)12-18(22)24-16-10-6-4-8-14(16)20/h3-10H,11-12H2,1-2H3
InChIKeyZSZBMCDTSLNLCX-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.52
Rot. Bonds1

About 4-methyl-4-(4-methyl-2-oxo-3H-chromen-4-yl)-3H-chromen-2-one

4-methyl-4-(4-methyl-2-oxo-3H-chromen-4-yl)-3H-chromen-2-one (PubChem CID 10914246) has the molecular formula C20H18O4 and a molecular weight of 322.36 g/mol. Its IUPAC name is 4-methyl-4-(4-methyl-2-oxo-3H-chromen-4-yl)-3H-chromen-2-one.

Molecular Properties

Compound Name4-methyl-4-(4-methyl-2-oxo-3H-chromen-4-yl)-3H-chromen-2-one
PubChem CID10914246
Molecular FormulaC20H18O4
Molecular Weight322.36 g/mol
Exact Mass322.12
IUPAC Name4-methyl-4-(4-methyl-2-oxo-3H-chromen-4-yl)-3H-chromen-2-one
SMILESCC1(C2(C)CC(=O)Oc3ccccc32)CC(=O)Oc2ccccc21
InChIInChI=1S/C20H18O4/c1-19(11-17(21)23-15-9-5-3-7-13(15)19)20(2)12-18(22)24-16-10-6-4-8-14(16)20/h3-10H,11-12H2,1-2H3
InChIKeyZSZBMCDTSLNLCX-UHFFFAOYSA-N
XLogP3.52
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Phenprocoumon
CID 54680692
Dihydrocoumarin
CID 660
Warfarin Sodium
CID 16204922
Warfarin Potassium
CID 23706212
Cyclocumarol
CID 10606
Splitomicin
CID 5269
bisphenol A dimethacrylate
CID 76739
6H-dibenzo(b,d)pyran-6-one
CID 16173
L-152,804
CID 3765615
6-Methyl-4-phenyl-3,4-dihydrochromen-2-one
CID 3791643
3,4-Dihydro-6-methylcoumarin
CID 66708
Phenol, 4,4'-(1-methylethylidene)bis-, 1,1'-diacetate
CID 82437

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(4-methyl-2-oxo-3H-chromen-4-yl)-3H-chromen-2-one?
The IUPAC name of 4-methyl-4-(4-methyl-2-oxo-3H-chromen-4-yl)-3H-chromen-2-one (CID 10914246) is 4-methyl-4-(4-methyl-2-oxo-3H-chromen-4-yl)-3H-chromen-2-one.
What is the SMILES notation for 4-methyl-4-(4-methyl-2-oxo-3H-chromen-4-yl)-3H-chromen-2-one?
The canonical SMILES for 4-methyl-4-(4-methyl-2-oxo-3H-chromen-4-yl)-3H-chromen-2-one is CC1(C2(C)CC(=O)Oc3ccccc32)CC(=O)Oc2ccccc21.
What is the InChIKey of 4-methyl-4-(4-methyl-2-oxo-3H-chromen-4-yl)-3H-chromen-2-one?
The InChIKey is ZSZBMCDTSLNLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O4/c1-19(11-17(21)23-15-9-5-3-7-13(15)19)20(2)12-18(22)24-16-10-6-4-8-14(16)20/h3-10H,11-12H2,1-2H3.
What are the key properties of 4-methyl-4-(4-methyl-2-oxo-3H-chromen-4-yl)-3H-chromen-2-one?
4-methyl-4-(4-methyl-2-oxo-3H-chromen-4-yl)-3H-chromen-2-one has a molecular weight of 322.36 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(4-methyl-2-oxo-3H-chromen-4-yl)-3H-chromen-2-one is sourced from PubChem (CID 10914246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).