5,7-dimethyl-6-(4-methylphenyl)-4-phenylchromen-2-one

C24H20O2 — CID 6540169

IUPAC5,7-dimethyl-6-(4-methylphenyl)-4-phenylchromen-2-one
SMILESCc1ccc(-c2c(C)cc3oc(=O)cc(-c4ccccc4)c3c2C)cc1
InChIInChI=1S/C24H20O2/c1-15-9-11-19(12-10-15)23-16(2)13-21-24(17(23)3)20(14-22(25)26-21)18-7-5-4-6-8-18/h4-14H,1-3H3
InChIKeyTXDLAOFFCMWTRP-UHFFFAOYSA-N
MW340.42 g/mol
LogP6.05
Rot. Bonds2

About 5,7-dimethyl-6-(4-methylphenyl)-4-phenylchromen-2-one

5,7-dimethyl-6-(4-methylphenyl)-4-phenylchromen-2-one (PubChem CID 6540169) has the molecular formula C24H20O2 and a molecular weight of 340.42 g/mol. Its IUPAC name is 5,7-dimethyl-6-(4-methylphenyl)-4-phenylchromen-2-one.

Molecular Properties

Compound Name5,7-dimethyl-6-(4-methylphenyl)-4-phenylchromen-2-one
PubChem CID6540169
Molecular FormulaC24H20O2
Molecular Weight340.42 g/mol
Exact Mass340.15
IUPAC Name5,7-dimethyl-6-(4-methylphenyl)-4-phenylchromen-2-one
SMILESCc1ccc(-c2c(C)cc3oc(=O)cc(-c4ccccc4)c3c2C)cc1
InChIInChI=1S/C24H20O2/c1-15-9-11-19(12-10-15)23-16(2)13-21-24(17(23)3)20(14-22(25)26-21)18-7-5-4-6-8-18/h4-14H,1-3H3
InChIKeyTXDLAOFFCMWTRP-UHFFFAOYSA-N
XLogP6.05
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.42
LogP ≤ 56.05
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 5,7-dimethyl-6-(4-methylphenyl)-4-phenylchromen-2-one?
The IUPAC name of 5,7-dimethyl-6-(4-methylphenyl)-4-phenylchromen-2-one (CID 6540169) is 5,7-dimethyl-6-(4-methylphenyl)-4-phenylchromen-2-one.
What is the SMILES notation for 5,7-dimethyl-6-(4-methylphenyl)-4-phenylchromen-2-one?
The canonical SMILES for 5,7-dimethyl-6-(4-methylphenyl)-4-phenylchromen-2-one is Cc1ccc(-c2c(C)cc3oc(=O)cc(-c4ccccc4)c3c2C)cc1.
What is the InChIKey of 5,7-dimethyl-6-(4-methylphenyl)-4-phenylchromen-2-one?
The InChIKey is TXDLAOFFCMWTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O2/c1-15-9-11-19(12-10-15)23-16(2)13-21-24(17(23)3)20(14-22(25)26-21)18-7-5-4-6-8-18/h4-14H,1-3H3.
What are the key properties of 5,7-dimethyl-6-(4-methylphenyl)-4-phenylchromen-2-one?
5,7-dimethyl-6-(4-methylphenyl)-4-phenylchromen-2-one has a molecular weight of 340.42 g/mol, XLogP of 6.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-6-(4-methylphenyl)-4-phenylchromen-2-one is sourced from PubChem (CID 6540169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).