5,6-bis(4-chlorophenyl)-2-[(4-methylphenyl)methyl]morpholin-3-one

C24H21Cl2NO2 — CID 123178762

IUPAC5,6-bis(4-chlorophenyl)-2-[(4-methylphenyl)methyl]morpholin-3-one
SMILESCc1ccc(CC2OC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)NC2=O)cc1
InChIInChI=1S/C24H21Cl2NO2/c1-15-2-4-16(5-3-15)14-21-24(28)27-22(17-6-10-19(25)11-7-17)23(29-21)18-8-12-20(26)13-9-18/h2-13,21-23H,14H2,1H3,(H,27,28)
InChIKeyFCZOSVVQRLSJLT-UHFFFAOYSA-N
MW426.34 g/mol
LogP5.84
Rot. Bonds4

About 5,6-bis(4-chlorophenyl)-2-[(4-methylphenyl)methyl]morpholin-3-one

5,6-bis(4-chlorophenyl)-2-[(4-methylphenyl)methyl]morpholin-3-one (PubChem CID 123178762) has the molecular formula C24H21Cl2NO2 and a molecular weight of 426.34 g/mol. Its IUPAC name is 5,6-bis(4-chlorophenyl)-2-[(4-methylphenyl)methyl]morpholin-3-one.

Molecular Properties

Compound Name5,6-bis(4-chlorophenyl)-2-[(4-methylphenyl)methyl]morpholin-3-one
PubChem CID123178762
Molecular FormulaC24H21Cl2NO2
Molecular Weight426.34 g/mol
Exact Mass425.09
IUPAC Name5,6-bis(4-chlorophenyl)-2-[(4-methylphenyl)methyl]morpholin-3-one
SMILESCc1ccc(CC2OC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)NC2=O)cc1
InChIInChI=1S/C24H21Cl2NO2/c1-15-2-4-16(5-3-15)14-21-24(28)27-22(17-6-10-19(25)11-7-17)23(29-21)18-8-12-20(26)13-9-18/h2-13,21-23H,14H2,1H3,(H,27,28)
InChIKeyFCZOSVVQRLSJLT-UHFFFAOYSA-N
XLogP5.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.34
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(4-chlorophenyl)-2-[(4-methylphenyl)methyl]morpholin-3-one?
The IUPAC name of 5,6-bis(4-chlorophenyl)-2-[(4-methylphenyl)methyl]morpholin-3-one (CID 123178762) is 5,6-bis(4-chlorophenyl)-2-[(4-methylphenyl)methyl]morpholin-3-one.
What is the SMILES notation for 5,6-bis(4-chlorophenyl)-2-[(4-methylphenyl)methyl]morpholin-3-one?
The canonical SMILES for 5,6-bis(4-chlorophenyl)-2-[(4-methylphenyl)methyl]morpholin-3-one is Cc1ccc(CC2OC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)NC2=O)cc1.
What is the InChIKey of 5,6-bis(4-chlorophenyl)-2-[(4-methylphenyl)methyl]morpholin-3-one?
The InChIKey is FCZOSVVQRLSJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2NO2/c1-15-2-4-16(5-3-15)14-21-24(28)27-22(17-6-10-19(25)11-7-17)23(29-21)18-8-12-20(26)13-9-18/h2-13,21-23H,14H2,1H3,(H,27,28).
What are the key properties of 5,6-bis(4-chlorophenyl)-2-[(4-methylphenyl)methyl]morpholin-3-one?
5,6-bis(4-chlorophenyl)-2-[(4-methylphenyl)methyl]morpholin-3-one has a molecular weight of 426.34 g/mol, XLogP of 5.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(4-chlorophenyl)-2-[(4-methylphenyl)methyl]morpholin-3-one is sourced from PubChem (CID 123178762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).