3-hydroxy-2-naphthalen-2-yl-4-phenyl-2,4-dihydro-1,3-benzoxazine

C24H19NO2 — CID 168876183

IUPAC3-hydroxy-2-naphthalen-2-yl-4-phenyl-2,4-dihydro-1,3-benzoxazine
SMILESON1C(c2ccc3ccccc3c2)Oc2ccccc2C1c1ccccc1
InChIInChI=1S/C24H19NO2/c26-25-23(18-9-2-1-3-10-18)21-12-6-7-13-22(21)27-24(25)20-15-14-17-8-4-5-11-19(17)16-20/h1-16,23-24,26H
InChIKeySHTMVLLBNFZQLQ-UHFFFAOYSA-N
MW353.42 g/mol
LogP5.71
Rot. Bonds2

About 3-hydroxy-2-naphthalen-2-yl-4-phenyl-2,4-dihydro-1,3-benzoxazine

3-hydroxy-2-naphthalen-2-yl-4-phenyl-2,4-dihydro-1,3-benzoxazine (PubChem CID 168876183) has the molecular formula C24H19NO2 and a molecular weight of 353.42 g/mol. Its IUPAC name is 3-hydroxy-2-naphthalen-2-yl-4-phenyl-2,4-dihydro-1,3-benzoxazine.

Molecular Properties

Compound Name3-hydroxy-2-naphthalen-2-yl-4-phenyl-2,4-dihydro-1,3-benzoxazine
PubChem CID168876183
Molecular FormulaC24H19NO2
Molecular Weight353.42 g/mol
Exact Mass353.14
IUPAC Name3-hydroxy-2-naphthalen-2-yl-4-phenyl-2,4-dihydro-1,3-benzoxazine
SMILESON1C(c2ccc3ccccc3c2)Oc2ccccc2C1c1ccccc1
InChIInChI=1S/C24H19NO2/c26-25-23(18-9-2-1-3-10-18)21-12-6-7-13-22(21)27-24(25)20-15-14-17-8-4-5-11-19(17)16-20/h1-16,23-24,26H
InChIKeySHTMVLLBNFZQLQ-UHFFFAOYSA-N
XLogP5.71
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.42
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-naphthalen-2-yl-4-phenyl-2,4-dihydro-1,3-benzoxazine?
The IUPAC name of 3-hydroxy-2-naphthalen-2-yl-4-phenyl-2,4-dihydro-1,3-benzoxazine (CID 168876183) is 3-hydroxy-2-naphthalen-2-yl-4-phenyl-2,4-dihydro-1,3-benzoxazine.
What is the SMILES notation for 3-hydroxy-2-naphthalen-2-yl-4-phenyl-2,4-dihydro-1,3-benzoxazine?
The canonical SMILES for 3-hydroxy-2-naphthalen-2-yl-4-phenyl-2,4-dihydro-1,3-benzoxazine is ON1C(c2ccc3ccccc3c2)Oc2ccccc2C1c1ccccc1.
What is the InChIKey of 3-hydroxy-2-naphthalen-2-yl-4-phenyl-2,4-dihydro-1,3-benzoxazine?
The InChIKey is SHTMVLLBNFZQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO2/c26-25-23(18-9-2-1-3-10-18)21-12-6-7-13-22(21)27-24(25)20-15-14-17-8-4-5-11-19(17)16-20/h1-16,23-24,26H.
What are the key properties of 3-hydroxy-2-naphthalen-2-yl-4-phenyl-2,4-dihydro-1,3-benzoxazine?
3-hydroxy-2-naphthalen-2-yl-4-phenyl-2,4-dihydro-1,3-benzoxazine has a molecular weight of 353.42 g/mol, XLogP of 5.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-naphthalen-2-yl-4-phenyl-2,4-dihydro-1,3-benzoxazine is sourced from PubChem (CID 168876183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).