[5-[[7-(1H-inden-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]furan-2-yl]methanol

C24H23NO3 — CID 29027657

IUPAC[5-[[7-(1H-inden-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]furan-2-yl]methanol
SMILESOCc1ccc(CN2CCOc3ccc(C4=Cc5ccccc5C4)cc3C2)o1
InChIInChI=1S/C24H23NO3/c26-16-23-7-6-22(28-23)15-25-9-10-27-24-8-5-19(13-21(24)14-25)20-11-17-3-1-2-4-18(17)12-20/h1-8,11,13,26H,9-10,12,14-16H2
InChIKeyGHCGUFJESNLAMB-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.26
Rot. Bonds4

About [5-[[7-(1H-inden-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]furan-2-yl]methanol

[5-[[7-(1H-inden-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]furan-2-yl]methanol (PubChem CID 29027657) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is [5-[[7-(1H-inden-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[7-(1H-inden-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]furan-2-yl]methanol
PubChem CID29027657
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name[5-[[7-(1H-inden-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]furan-2-yl]methanol
SMILESOCc1ccc(CN2CCOc3ccc(C4=Cc5ccccc5C4)cc3C2)o1
InChIInChI=1S/C24H23NO3/c26-16-23-7-6-22(28-23)15-25-9-10-27-24-8-5-19(13-21(24)14-25)20-11-17-3-1-2-4-18(17)12-20/h1-8,11,13,26H,9-10,12,14-16H2
InChIKeyGHCGUFJESNLAMB-UHFFFAOYSA-N
XLogP4.26
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-[[7-(1H-inden-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[7-(1H-inden-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]furan-2-yl]methanol (CID 29027657) is [5-[[7-(1H-inden-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[7-(1H-inden-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[7-(1H-inden-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]furan-2-yl]methanol is OCc1ccc(CN2CCOc3ccc(C4=Cc5ccccc5C4)cc3C2)o1.
What is the InChIKey of [5-[[7-(1H-inden-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]furan-2-yl]methanol?
The InChIKey is GHCGUFJESNLAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c26-16-23-7-6-22(28-23)15-25-9-10-27-24-8-5-19(13-21(24)14-25)20-11-17-3-1-2-4-18(17)12-20/h1-8,11,13,26H,9-10,12,14-16H2.
What are the key properties of [5-[[7-(1H-inden-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]furan-2-yl]methanol?
[5-[[7-(1H-inden-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]furan-2-yl]methanol has a molecular weight of 373.45 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[7-(1H-inden-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]furan-2-yl]methanol is sourced from PubChem (CID 29027657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).