N-methoxy-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-imine

C20H21NO2 — CID 13017872

IUPACN-methoxy-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-imine
SMILESCON=C1CCC2(CC1)OC(c1ccccc1)c1ccccc12
InChIInChI=1S/C20H21NO2/c1-22-21-16-11-13-20(14-12-16)18-10-6-5-9-17(18)19(23-20)15-7-3-2-4-8-15/h2-10,19H,11-14H2,1H3/b21-16-
InChIKeyDYFZQHUVWSJPLX-PGMHBOJBSA-N
MW307.39 g/mol
LogP4.58
Rot. Bonds2

About N-methoxy-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-imine

N-methoxy-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-imine (PubChem CID 13017872) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-methoxy-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-imine.

Molecular Properties

Compound NameN-methoxy-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-imine
PubChem CID13017872
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC NameN-methoxy-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-imine
SMILESCON=C1CCC2(CC1)OC(c1ccccc1)c1ccccc12
InChIInChI=1S/C20H21NO2/c1-22-21-16-11-13-20(14-12-16)18-10-6-5-9-17(18)19(23-20)15-7-3-2-4-8-15/h2-10,19H,11-14H2,1H3/b21-16-
InChIKeyDYFZQHUVWSJPLX-PGMHBOJBSA-N
XLogP4.58
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-imine?
The IUPAC name of N-methoxy-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-imine (CID 13017872) is N-methoxy-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-imine.
What is the SMILES notation for N-methoxy-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-imine?
The canonical SMILES for N-methoxy-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-imine is CON=C1CCC2(CC1)OC(c1ccccc1)c1ccccc12.
What is the InChIKey of N-methoxy-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-imine?
The InChIKey is DYFZQHUVWSJPLX-PGMHBOJBSA-N. The full InChI is InChI=1S/C20H21NO2/c1-22-21-16-11-13-20(14-12-16)18-10-6-5-9-17(18)19(23-20)15-7-3-2-4-8-15/h2-10,19H,11-14H2,1H3/b21-16-.
What are the key properties of N-methoxy-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-imine?
N-methoxy-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-imine has a molecular weight of 307.39 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-phenylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-imine is sourced from PubChem (CID 13017872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).