4-methyl-2-(4-phenylphenyl)-2,3-dihydro-1,4-benzoxazine

C21H19NO — CID 53392540

IUPAC4-methyl-2-(4-phenylphenyl)-2,3-dihydro-1,4-benzoxazine
SMILESCN1CC(c2ccc(-c3ccccc3)cc2)Oc2ccccc21
InChIInChI=1S/C21H19NO/c1-22-15-21(23-20-10-6-5-9-19(20)22)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14,21H,15H2,1H3
InChIKeyOJHFHFQRLRFUTR-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.92
Rot. Bonds2

About 4-methyl-2-(4-phenylphenyl)-2,3-dihydro-1,4-benzoxazine

4-methyl-2-(4-phenylphenyl)-2,3-dihydro-1,4-benzoxazine (PubChem CID 53392540) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-methyl-2-(4-phenylphenyl)-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name4-methyl-2-(4-phenylphenyl)-2,3-dihydro-1,4-benzoxazine
PubChem CID53392540
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC Name4-methyl-2-(4-phenylphenyl)-2,3-dihydro-1,4-benzoxazine
SMILESCN1CC(c2ccc(-c3ccccc3)cc2)Oc2ccccc21
InChIInChI=1S/C21H19NO/c1-22-15-21(23-20-10-6-5-9-19(20)22)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14,21H,15H2,1H3
InChIKeyOJHFHFQRLRFUTR-UHFFFAOYSA-N
XLogP4.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-phenylphenyl)-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 4-methyl-2-(4-phenylphenyl)-2,3-dihydro-1,4-benzoxazine (CID 53392540) is 4-methyl-2-(4-phenylphenyl)-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 4-methyl-2-(4-phenylphenyl)-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 4-methyl-2-(4-phenylphenyl)-2,3-dihydro-1,4-benzoxazine is CN1CC(c2ccc(-c3ccccc3)cc2)Oc2ccccc21.
What is the InChIKey of 4-methyl-2-(4-phenylphenyl)-2,3-dihydro-1,4-benzoxazine?
The InChIKey is OJHFHFQRLRFUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO/c1-22-15-21(23-20-10-6-5-9-19(20)22)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14,21H,15H2,1H3.
What are the key properties of 4-methyl-2-(4-phenylphenyl)-2,3-dihydro-1,4-benzoxazine?
4-methyl-2-(4-phenylphenyl)-2,3-dihydro-1,4-benzoxazine has a molecular weight of 301.39 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-phenylphenyl)-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 53392540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).