2,3-diphenyl-1,4-benzoxazin-2-ol

C20H15NO2 — CID 607198

IUPAC2,3-diphenyl-1,4-benzoxazin-2-ol
SMILESOC1(c2ccccc2)Oc2ccccc2N=C1c1ccccc1
InChIInChI=1S/C20H15NO2/c22-20(16-11-5-2-6-12-16)19(15-9-3-1-4-10-15)21-17-13-7-8-14-18(17)23-20/h1-14,22H
InChIKeyIEMSNWKDTDMZQQ-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.05
Rot. Bonds2

About 2,3-diphenyl-1,4-benzoxazin-2-ol

2,3-diphenyl-1,4-benzoxazin-2-ol (PubChem CID 607198) has the molecular formula C20H15NO2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2,3-diphenyl-1,4-benzoxazin-2-ol.

Molecular Properties

Compound Name2,3-diphenyl-1,4-benzoxazin-2-ol
PubChem CID607198
Molecular FormulaC20H15NO2
Molecular Weight301.35 g/mol
Exact Mass301.11
IUPAC Name2,3-diphenyl-1,4-benzoxazin-2-ol
SMILESOC1(c2ccccc2)Oc2ccccc2N=C1c1ccccc1
InChIInChI=1S/C20H15NO2/c22-20(16-11-5-2-6-12-16)19(15-9-3-1-4-10-15)21-17-13-7-8-14-18(17)23-20/h1-14,22H
InChIKeyIEMSNWKDTDMZQQ-UHFFFAOYSA-N
XLogP4.05
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-1,4-benzoxazin-2-ol?
The IUPAC name of 2,3-diphenyl-1,4-benzoxazin-2-ol (CID 607198) is 2,3-diphenyl-1,4-benzoxazin-2-ol.
What is the SMILES notation for 2,3-diphenyl-1,4-benzoxazin-2-ol?
The canonical SMILES for 2,3-diphenyl-1,4-benzoxazin-2-ol is OC1(c2ccccc2)Oc2ccccc2N=C1c1ccccc1.
What is the InChIKey of 2,3-diphenyl-1,4-benzoxazin-2-ol?
The InChIKey is IEMSNWKDTDMZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO2/c22-20(16-11-5-2-6-12-16)19(15-9-3-1-4-10-15)21-17-13-7-8-14-18(17)23-20/h1-14,22H.
What are the key properties of 2,3-diphenyl-1,4-benzoxazin-2-ol?
2,3-diphenyl-1,4-benzoxazin-2-ol has a molecular weight of 301.35 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-1,4-benzoxazin-2-ol is sourced from PubChem (CID 607198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).