6-methyl-2-[(3R)-3-methyl-1-oxo-4H-isochromen-3-yl]chromen-4-one

C20H16O4 — CID 2608643

IUPAC6-methyl-2-[(3R)-3-methyl-1-oxo-4H-isochromen-3-yl]chromen-4-one
SMILESCc1ccc2oc([C@@]3(C)Cc4ccccc4C(=O)O3)cc(=O)c2c1
InChIInChI=1S/C20H16O4/c1-12-7-8-17-15(9-12)16(21)10-18(23-17)20(2)11-13-5-3-4-6-14(13)19(22)24-20/h3-10H,11H2,1-2H3/t20-/m1/s1
InChIKeyQVAJJEOVLXIZID-HXUWFJFHSA-N
MW320.34 g/mol
LogP3.73
Rot. Bonds1

About 6-methyl-2-[(3R)-3-methyl-1-oxo-4H-isochromen-3-yl]chromen-4-one

6-methyl-2-[(3R)-3-methyl-1-oxo-4H-isochromen-3-yl]chromen-4-one (PubChem CID 2608643) has the molecular formula C20H16O4 and a molecular weight of 320.34 g/mol. Its IUPAC name is 6-methyl-2-[(3R)-3-methyl-1-oxo-4H-isochromen-3-yl]chromen-4-one.

Molecular Properties

Compound Name6-methyl-2-[(3R)-3-methyl-1-oxo-4H-isochromen-3-yl]chromen-4-one
PubChem CID2608643
Molecular FormulaC20H16O4
Molecular Weight320.34 g/mol
Exact Mass320.10
IUPAC Name6-methyl-2-[(3R)-3-methyl-1-oxo-4H-isochromen-3-yl]chromen-4-one
SMILESCc1ccc2oc([C@@]3(C)Cc4ccccc4C(=O)O3)cc(=O)c2c1
InChIInChI=1S/C20H16O4/c1-12-7-8-17-15(9-12)16(21)10-18(23-17)20(2)11-13-5-3-4-6-14(13)19(22)24-20/h3-10H,11H2,1-2H3/t20-/m1/s1
InChIKeyQVAJJEOVLXIZID-HXUWFJFHSA-N
XLogP3.73
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(3R)-3-methyl-1-oxo-4H-isochromen-3-yl]chromen-4-one?
The IUPAC name of 6-methyl-2-[(3R)-3-methyl-1-oxo-4H-isochromen-3-yl]chromen-4-one (CID 2608643) is 6-methyl-2-[(3R)-3-methyl-1-oxo-4H-isochromen-3-yl]chromen-4-one.
What is the SMILES notation for 6-methyl-2-[(3R)-3-methyl-1-oxo-4H-isochromen-3-yl]chromen-4-one?
The canonical SMILES for 6-methyl-2-[(3R)-3-methyl-1-oxo-4H-isochromen-3-yl]chromen-4-one is Cc1ccc2oc([C@@]3(C)Cc4ccccc4C(=O)O3)cc(=O)c2c1.
What is the InChIKey of 6-methyl-2-[(3R)-3-methyl-1-oxo-4H-isochromen-3-yl]chromen-4-one?
The InChIKey is QVAJJEOVLXIZID-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H16O4/c1-12-7-8-17-15(9-12)16(21)10-18(23-17)20(2)11-13-5-3-4-6-14(13)19(22)24-20/h3-10H,11H2,1-2H3/t20-/m1/s1.
What are the key properties of 6-methyl-2-[(3R)-3-methyl-1-oxo-4H-isochromen-3-yl]chromen-4-one?
6-methyl-2-[(3R)-3-methyl-1-oxo-4H-isochromen-3-yl]chromen-4-one has a molecular weight of 320.34 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(3R)-3-methyl-1-oxo-4H-isochromen-3-yl]chromen-4-one is sourced from PubChem (CID 2608643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).