4-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-3-phenyl-3,4-dihydro-2H-chromen-6-ol

C24H23NO3 — CID 18355574

IUPAC4-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-3-phenyl-3,4-dihydro-2H-chromen-6-ol
SMILESCN1CCOc2ccc(C3c4cc(O)ccc4OCC3c3ccccc3)cc21
InChIInChI=1S/C24H23NO3/c1-25-11-12-27-23-9-7-17(13-21(23)25)24-19-14-18(26)8-10-22(19)28-15-20(24)16-5-3-2-4-6-16/h2-10,13-14,20,24,26H,11-12,15H2,1H3
InChIKeyWGOCGUDRZINCHZ-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.53
Rot. Bonds2

About 4-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-3-phenyl-3,4-dihydro-2H-chromen-6-ol

4-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-3-phenyl-3,4-dihydro-2H-chromen-6-ol (PubChem CID 18355574) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is 4-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-3-phenyl-3,4-dihydro-2H-chromen-6-ol.

Molecular Properties

Compound Name4-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-3-phenyl-3,4-dihydro-2H-chromen-6-ol
PubChem CID18355574
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name4-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-3-phenyl-3,4-dihydro-2H-chromen-6-ol
SMILESCN1CCOc2ccc(C3c4cc(O)ccc4OCC3c3ccccc3)cc21
InChIInChI=1S/C24H23NO3/c1-25-11-12-27-23-9-7-17(13-21(23)25)24-19-14-18(26)8-10-22(19)28-15-20(24)16-5-3-2-4-6-16/h2-10,13-14,20,24,26H,11-12,15H2,1H3
InChIKeyWGOCGUDRZINCHZ-UHFFFAOYSA-N
XLogP4.53
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-3-phenyl-3,4-dihydro-2H-chromen-6-ol?
The IUPAC name of 4-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-3-phenyl-3,4-dihydro-2H-chromen-6-ol (CID 18355574) is 4-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-3-phenyl-3,4-dihydro-2H-chromen-6-ol.
What is the SMILES notation for 4-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-3-phenyl-3,4-dihydro-2H-chromen-6-ol?
The canonical SMILES for 4-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-3-phenyl-3,4-dihydro-2H-chromen-6-ol is CN1CCOc2ccc(C3c4cc(O)ccc4OCC3c3ccccc3)cc21.
What is the InChIKey of 4-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-3-phenyl-3,4-dihydro-2H-chromen-6-ol?
The InChIKey is WGOCGUDRZINCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-25-11-12-27-23-9-7-17(13-21(23)25)24-19-14-18(26)8-10-22(19)28-15-20(24)16-5-3-2-4-6-16/h2-10,13-14,20,24,26H,11-12,15H2,1H3.
What are the key properties of 4-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-3-phenyl-3,4-dihydro-2H-chromen-6-ol?
4-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-3-phenyl-3,4-dihydro-2H-chromen-6-ol has a molecular weight of 373.45 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-3-phenyl-3,4-dihydro-2H-chromen-6-ol is sourced from PubChem (CID 18355574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).