7-(3,4-dimethoxyphenyl)-3-phenyl-4,8-dihydro-2H-pyrano[3,2-g][1,3]benzoxazine

C25H23NO4 — CID 25002585

IUPAC7-(3,4-dimethoxyphenyl)-3-phenyl-4,8-dihydro-2H-pyrano[3,2-g][1,3]benzoxazine
SMILESCOc1ccc(C2=Cc3cc4c(cc3OC2)OCN(c2ccccc2)C4)cc1OC
InChIInChI=1S/C25H23NO4/c1-27-22-9-8-17(12-25(22)28-2)20-11-18-10-19-14-26(21-6-4-3-5-7-21)16-30-24(19)13-23(18)29-15-20/h3-13H,14-16H2,1-2H3
InChIKeyMSLDIOBWRCACTJ-UHFFFAOYSA-N
MW401.46 g/mol
LogP4.99
Rot. Bonds4

About 7-(3,4-dimethoxyphenyl)-3-phenyl-4,8-dihydro-2H-pyrano[3,2-g][1,3]benzoxazine

7-(3,4-dimethoxyphenyl)-3-phenyl-4,8-dihydro-2H-pyrano[3,2-g][1,3]benzoxazine (PubChem CID 25002585) has the molecular formula C25H23NO4 and a molecular weight of 401.46 g/mol. Its IUPAC name is 7-(3,4-dimethoxyphenyl)-3-phenyl-4,8-dihydro-2H-pyrano[3,2-g][1,3]benzoxazine.

Molecular Properties

Compound Name7-(3,4-dimethoxyphenyl)-3-phenyl-4,8-dihydro-2H-pyrano[3,2-g][1,3]benzoxazine
PubChem CID25002585
Molecular FormulaC25H23NO4
Molecular Weight401.46 g/mol
Exact Mass401.16
IUPAC Name7-(3,4-dimethoxyphenyl)-3-phenyl-4,8-dihydro-2H-pyrano[3,2-g][1,3]benzoxazine
SMILESCOc1ccc(C2=Cc3cc4c(cc3OC2)OCN(c2ccccc2)C4)cc1OC
InChIInChI=1S/C25H23NO4/c1-27-22-9-8-17(12-25(22)28-2)20-11-18-10-19-14-26(21-6-4-3-5-7-21)16-30-24(19)13-23(18)29-15-20/h3-13H,14-16H2,1-2H3
InChIKeyMSLDIOBWRCACTJ-UHFFFAOYSA-N
XLogP4.99
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethoxyphenyl)-3-phenyl-4,8-dihydro-2H-pyrano[3,2-g][1,3]benzoxazine?
The IUPAC name of 7-(3,4-dimethoxyphenyl)-3-phenyl-4,8-dihydro-2H-pyrano[3,2-g][1,3]benzoxazine (CID 25002585) is 7-(3,4-dimethoxyphenyl)-3-phenyl-4,8-dihydro-2H-pyrano[3,2-g][1,3]benzoxazine.
What is the SMILES notation for 7-(3,4-dimethoxyphenyl)-3-phenyl-4,8-dihydro-2H-pyrano[3,2-g][1,3]benzoxazine?
The canonical SMILES for 7-(3,4-dimethoxyphenyl)-3-phenyl-4,8-dihydro-2H-pyrano[3,2-g][1,3]benzoxazine is COc1ccc(C2=Cc3cc4c(cc3OC2)OCN(c2ccccc2)C4)cc1OC.
What is the InChIKey of 7-(3,4-dimethoxyphenyl)-3-phenyl-4,8-dihydro-2H-pyrano[3,2-g][1,3]benzoxazine?
The InChIKey is MSLDIOBWRCACTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO4/c1-27-22-9-8-17(12-25(22)28-2)20-11-18-10-19-14-26(21-6-4-3-5-7-21)16-30-24(19)13-23(18)29-15-20/h3-13H,14-16H2,1-2H3.
What are the key properties of 7-(3,4-dimethoxyphenyl)-3-phenyl-4,8-dihydro-2H-pyrano[3,2-g][1,3]benzoxazine?
7-(3,4-dimethoxyphenyl)-3-phenyl-4,8-dihydro-2H-pyrano[3,2-g][1,3]benzoxazine has a molecular weight of 401.46 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethoxyphenyl)-3-phenyl-4,8-dihydro-2H-pyrano[3,2-g][1,3]benzoxazine is sourced from PubChem (CID 25002585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).