6,7-bis(4-methylphenyl)chromen-2-one

C23H18O2 — CID 58882740

IUPAC6,7-bis(4-methylphenyl)chromen-2-one
SMILESCc1ccc(-c2cc3ccc(=O)oc3cc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C23H18O2/c1-15-3-7-17(8-4-15)20-13-19-11-12-23(24)25-22(19)14-21(20)18-9-5-16(2)6-10-18/h3-14H,1-2H3
InChIKeyJTEDHWJACXGVNR-UHFFFAOYSA-N
MW326.40 g/mol
LogP5.74
Rot. Bonds2

About 6,7-bis(4-methylphenyl)chromen-2-one

6,7-bis(4-methylphenyl)chromen-2-one (PubChem CID 58882740) has the molecular formula C23H18O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 6,7-bis(4-methylphenyl)chromen-2-one.

Molecular Properties

Compound Name6,7-bis(4-methylphenyl)chromen-2-one
PubChem CID58882740
Molecular FormulaC23H18O2
Molecular Weight326.40 g/mol
Exact Mass326.13
IUPAC Name6,7-bis(4-methylphenyl)chromen-2-one
SMILESCc1ccc(-c2cc3ccc(=O)oc3cc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C23H18O2/c1-15-3-7-17(8-4-15)20-13-19-11-12-23(24)25-22(19)14-21(20)18-9-5-16(2)6-10-18/h3-14H,1-2H3
InChIKeyJTEDHWJACXGVNR-UHFFFAOYSA-N
XLogP5.74
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.40
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,7-bis(4-methylphenyl)chromen-2-one?
The IUPAC name of 6,7-bis(4-methylphenyl)chromen-2-one (CID 58882740) is 6,7-bis(4-methylphenyl)chromen-2-one.
What is the SMILES notation for 6,7-bis(4-methylphenyl)chromen-2-one?
The canonical SMILES for 6,7-bis(4-methylphenyl)chromen-2-one is Cc1ccc(-c2cc3ccc(=O)oc3cc2-c2ccc(C)cc2)cc1.
What is the InChIKey of 6,7-bis(4-methylphenyl)chromen-2-one?
The InChIKey is JTEDHWJACXGVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O2/c1-15-3-7-17(8-4-15)20-13-19-11-12-23(24)25-22(19)14-21(20)18-9-5-16(2)6-10-18/h3-14H,1-2H3.
What are the key properties of 6,7-bis(4-methylphenyl)chromen-2-one?
6,7-bis(4-methylphenyl)chromen-2-one has a molecular weight of 326.40 g/mol, XLogP of 5.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-bis(4-methylphenyl)chromen-2-one is sourced from PubChem (CID 58882740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).