6-methyl-3-(6-methyl-2-oxochromen-4-yl)chromen-2-one

C20H14O4 — CID 139087005

IUPAC6-methyl-3-(6-methyl-2-oxochromen-4-yl)chromen-2-one
SMILESCc1ccc2oc(=O)c(-c3cc(=O)oc4ccc(C)cc34)cc2c1
InChIInChI=1S/C20H14O4/c1-11-3-5-17-13(7-11)9-16(20(22)24-17)14-10-19(21)23-18-6-4-12(2)8-15(14)18/h3-10H,1-2H3
InChIKeyBTUDFGJGFQOCQK-UHFFFAOYSA-N
MW318.33 g/mol
LogP4.18
Rot. Bonds1

About 6-methyl-3-(6-methyl-2-oxochromen-4-yl)chromen-2-one

6-methyl-3-(6-methyl-2-oxochromen-4-yl)chromen-2-one (PubChem CID 139087005) has the molecular formula C20H14O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is 6-methyl-3-(6-methyl-2-oxochromen-4-yl)chromen-2-one.

Molecular Properties

Compound Name6-methyl-3-(6-methyl-2-oxochromen-4-yl)chromen-2-one
PubChem CID139087005
Molecular FormulaC20H14O4
Molecular Weight318.33 g/mol
Exact Mass318.09
IUPAC Name6-methyl-3-(6-methyl-2-oxochromen-4-yl)chromen-2-one
SMILESCc1ccc2oc(=O)c(-c3cc(=O)oc4ccc(C)cc34)cc2c1
InChIInChI=1S/C20H14O4/c1-11-3-5-17-13(7-11)9-16(20(22)24-17)14-10-19(21)23-18-6-4-12(2)8-15(14)18/h3-10H,1-2H3
InChIKeyBTUDFGJGFQOCQK-UHFFFAOYSA-N
XLogP4.18
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 54.18
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

6-methyl-3-(3-methylphenyl)chromen-2-one
CID 56594232
4,6-dimethylchromen-2-one;molecular hydrogen
CID 143310046
6-methyl-4-(1-methylindol-3-yl)chromen-2-one
CID 132548044
6-hydroxy-3-(4-methylphenyl)chromen-2-one
CID 56594088
6-methyl-2-oxochromene-4-carbonitrile
CID 12820495
3-(4-methylphenyl)-6-phenylchromen-2-one
CID 89166486
2-[4-[3,5-bis(8-methyl-3-oxobenzo[f]chromen-2-yl)phenyl]phenyl]-8-methylbenzo[f]chromen-3-one
CID 142252710
3-(5-methyl-1,3-benzoxazol-2-yl)chromen-2-one
CID 132599596
8-methyl-2-[3-[3-(8-methyl-3-oxobenzo[f]chromen-2-yl)phenyl]phenyl]benzo[f]chromen-3-one
CID 142252672
6-methyl-2-oxochromene-3-sulfonamide
CID 141216239
6-methyl-3-[(E)-prop-1-enyl]chromen-2-one
CID 135210411
6-methyl-3-([1,3,4]oxadiazino[6,5-b]indol-3-yl)chromen-2-one
CID 139218793

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(6-methyl-2-oxochromen-4-yl)chromen-2-one?
The IUPAC name of 6-methyl-3-(6-methyl-2-oxochromen-4-yl)chromen-2-one (CID 139087005) is 6-methyl-3-(6-methyl-2-oxochromen-4-yl)chromen-2-one.
What is the SMILES notation for 6-methyl-3-(6-methyl-2-oxochromen-4-yl)chromen-2-one?
The canonical SMILES for 6-methyl-3-(6-methyl-2-oxochromen-4-yl)chromen-2-one is Cc1ccc2oc(=O)c(-c3cc(=O)oc4ccc(C)cc34)cc2c1.
What is the InChIKey of 6-methyl-3-(6-methyl-2-oxochromen-4-yl)chromen-2-one?
The InChIKey is BTUDFGJGFQOCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O4/c1-11-3-5-17-13(7-11)9-16(20(22)24-17)14-10-19(21)23-18-6-4-12(2)8-15(14)18/h3-10H,1-2H3.
What are the key properties of 6-methyl-3-(6-methyl-2-oxochromen-4-yl)chromen-2-one?
6-methyl-3-(6-methyl-2-oxochromen-4-yl)chromen-2-one has a molecular weight of 318.33 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(6-methyl-2-oxochromen-4-yl)chromen-2-one is sourced from PubChem (CID 139087005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).