(2R)-2-(2-chlorophenyl)-4,4-bis(4-methylphenyl)-1,2-dihydro-3,1-benzoxazine

C28H24ClNO — CID 40830522

IUPAC(2R)-2-(2-chlorophenyl)-4,4-bis(4-methylphenyl)-1,2-dihydro-3,1-benzoxazine
SMILESCc1ccc(C2(c3ccc(C)cc3)O[C@H](c3ccccc3Cl)Nc3ccccc32)cc1
InChIInChI=1S/C28H24ClNO/c1-19-11-15-21(16-12-19)28(22-17-13-20(2)14-18-22)24-8-4-6-10-26(24)30-27(31-28)23-7-3-5-9-25(23)29/h3-18,27,30H,1-2H3/t27-/m1/s1
InChIKeyZAWHAXHDACTFES-HHHXNRCGSA-N
MW425.96 g/mol
LogP7.39
Rot. Bonds3

About (2R)-2-(2-chlorophenyl)-4,4-bis(4-methylphenyl)-1,2-dihydro-3,1-benzoxazine

(2R)-2-(2-chlorophenyl)-4,4-bis(4-methylphenyl)-1,2-dihydro-3,1-benzoxazine (PubChem CID 40830522) has the molecular formula C28H24ClNO and a molecular weight of 425.96 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenyl)-4,4-bis(4-methylphenyl)-1,2-dihydro-3,1-benzoxazine.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenyl)-4,4-bis(4-methylphenyl)-1,2-dihydro-3,1-benzoxazine
PubChem CID40830522
Molecular FormulaC28H24ClNO
Molecular Weight425.96 g/mol
Exact Mass425.15
IUPAC Name(2R)-2-(2-chlorophenyl)-4,4-bis(4-methylphenyl)-1,2-dihydro-3,1-benzoxazine
SMILESCc1ccc(C2(c3ccc(C)cc3)O[C@H](c3ccccc3Cl)Nc3ccccc32)cc1
InChIInChI=1S/C28H24ClNO/c1-19-11-15-21(16-12-19)28(22-17-13-20(2)14-18-22)24-8-4-6-10-26(24)30-27(31-28)23-7-3-5-9-25(23)29/h3-18,27,30H,1-2H3/t27-/m1/s1
InChIKeyZAWHAXHDACTFES-HHHXNRCGSA-N
XLogP7.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.96
LogP ≤ 57.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenyl)-4,4-bis(4-methylphenyl)-1,2-dihydro-3,1-benzoxazine?
The IUPAC name of (2R)-2-(2-chlorophenyl)-4,4-bis(4-methylphenyl)-1,2-dihydro-3,1-benzoxazine (CID 40830522) is (2R)-2-(2-chlorophenyl)-4,4-bis(4-methylphenyl)-1,2-dihydro-3,1-benzoxazine.
What is the SMILES notation for (2R)-2-(2-chlorophenyl)-4,4-bis(4-methylphenyl)-1,2-dihydro-3,1-benzoxazine?
The canonical SMILES for (2R)-2-(2-chlorophenyl)-4,4-bis(4-methylphenyl)-1,2-dihydro-3,1-benzoxazine is Cc1ccc(C2(c3ccc(C)cc3)O[C@H](c3ccccc3Cl)Nc3ccccc32)cc1.
What is the InChIKey of (2R)-2-(2-chlorophenyl)-4,4-bis(4-methylphenyl)-1,2-dihydro-3,1-benzoxazine?
The InChIKey is ZAWHAXHDACTFES-HHHXNRCGSA-N. The full InChI is InChI=1S/C28H24ClNO/c1-19-11-15-21(16-12-19)28(22-17-13-20(2)14-18-22)24-8-4-6-10-26(24)30-27(31-28)23-7-3-5-9-25(23)29/h3-18,27,30H,1-2H3/t27-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenyl)-4,4-bis(4-methylphenyl)-1,2-dihydro-3,1-benzoxazine?
(2R)-2-(2-chlorophenyl)-4,4-bis(4-methylphenyl)-1,2-dihydro-3,1-benzoxazine has a molecular weight of 425.96 g/mol, XLogP of 7.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenyl)-4,4-bis(4-methylphenyl)-1,2-dihydro-3,1-benzoxazine is sourced from PubChem (CID 40830522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).