5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]-4-phenylchromen-2-one

C28H27NO3 — CID 71515461

IUPAC5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]-4-phenylchromen-2-one
SMILESCc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C28H27NO3/c1-19-16-25-28(24(17-26(30)32-25)22-6-4-3-5-7-22)20(2)27(19)23-10-8-21(9-11-23)18-29-12-14-31-15-13-29/h3-11,16-17H,12-15,18H2,1-2H3
InChIKeyBCYLZRSBTBGTMC-UHFFFAOYSA-N
MW425.53 g/mol
LogP5.58
Rot. Bonds4

About 5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]-4-phenylchromen-2-one

5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]-4-phenylchromen-2-one (PubChem CID 71515461) has the molecular formula C28H27NO3 and a molecular weight of 425.53 g/mol. Its IUPAC name is 5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]-4-phenylchromen-2-one.

Molecular Properties

Compound Name5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]-4-phenylchromen-2-one
PubChem CID71515461
Molecular FormulaC28H27NO3
Molecular Weight425.53 g/mol
Exact Mass425.20
IUPAC Name5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]-4-phenylchromen-2-one
SMILESCc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C28H27NO3/c1-19-16-25-28(24(17-26(30)32-25)22-6-4-3-5-7-22)20(2)27(19)23-10-8-21(9-11-23)18-29-12-14-31-15-13-29/h3-11,16-17H,12-15,18H2,1-2H3
InChIKeyBCYLZRSBTBGTMC-UHFFFAOYSA-N
XLogP5.58
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]-4-phenylchromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]-4-phenylchromen-2-one?
The IUPAC name of 5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]-4-phenylchromen-2-one (CID 71515461) is 5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]-4-phenylchromen-2-one.
What is the SMILES notation for 5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]-4-phenylchromen-2-one?
The canonical SMILES for 5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]-4-phenylchromen-2-one is Cc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]-4-phenylchromen-2-one?
The InChIKey is BCYLZRSBTBGTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO3/c1-19-16-25-28(24(17-26(30)32-25)22-6-4-3-5-7-22)20(2)27(19)23-10-8-21(9-11-23)18-29-12-14-31-15-13-29/h3-11,16-17H,12-15,18H2,1-2H3.
What are the key properties of 5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]-4-phenylchromen-2-one?
5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]-4-phenylchromen-2-one has a molecular weight of 425.53 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]-4-phenylchromen-2-one is sourced from PubChem (CID 71515461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).