[1-[(E)-(1-formyloxy-1-phenylethyl)diazenyl]-1-phenylethyl] formate

C18H18N2O4 — CID 15577792

IUPAC[1-[(E)-(1-formyloxy-1-phenylethyl)diazenyl]-1-phenylethyl] formate
SMILESCC(/N=N/C(C)(OC=O)c1ccccc1)(OC=O)c1ccccc1
InChIInChI=1S/C18H18N2O4/c1-17(23-13-21,15-9-5-3-6-10-15)19-20-18(2,24-14-22)16-11-7-4-8-12-16/h3-14H,1-2H3/b20-19+
InChIKeyOIRXZGCQJLNORO-FMQUCBEESA-N
MW326.35 g/mol
LogP3.53
Rot. Bonds8

About [1-[(E)-(1-formyloxy-1-phenylethyl)diazenyl]-1-phenylethyl] formate

[1-[(E)-(1-formyloxy-1-phenylethyl)diazenyl]-1-phenylethyl] formate (PubChem CID 15577792) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is [1-[(E)-(1-formyloxy-1-phenylethyl)diazenyl]-1-phenylethyl] formate.

Molecular Properties

Compound Name[1-[(E)-(1-formyloxy-1-phenylethyl)diazenyl]-1-phenylethyl] formate
PubChem CID15577792
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name[1-[(E)-(1-formyloxy-1-phenylethyl)diazenyl]-1-phenylethyl] formate
SMILESCC(/N=N/C(C)(OC=O)c1ccccc1)(OC=O)c1ccccc1
InChIInChI=1S/C18H18N2O4/c1-17(23-13-21,15-9-5-3-6-10-15)19-20-18(2,24-14-22)16-11-7-4-8-12-16/h3-14H,1-2H3/b20-19+
InChIKeyOIRXZGCQJLNORO-FMQUCBEESA-N
XLogP3.53
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[(E)-(1-formyloxy-1-phenylethyl)diazenyl]-1-phenylethyl] formate?
The IUPAC name of [1-[(E)-(1-formyloxy-1-phenylethyl)diazenyl]-1-phenylethyl] formate (CID 15577792) is [1-[(E)-(1-formyloxy-1-phenylethyl)diazenyl]-1-phenylethyl] formate.
What is the SMILES notation for [1-[(E)-(1-formyloxy-1-phenylethyl)diazenyl]-1-phenylethyl] formate?
The canonical SMILES for [1-[(E)-(1-formyloxy-1-phenylethyl)diazenyl]-1-phenylethyl] formate is CC(/N=N/C(C)(OC=O)c1ccccc1)(OC=O)c1ccccc1.
What is the InChIKey of [1-[(E)-(1-formyloxy-1-phenylethyl)diazenyl]-1-phenylethyl] formate?
The InChIKey is OIRXZGCQJLNORO-FMQUCBEESA-N. The full InChI is InChI=1S/C18H18N2O4/c1-17(23-13-21,15-9-5-3-6-10-15)19-20-18(2,24-14-22)16-11-7-4-8-12-16/h3-14H,1-2H3/b20-19+.
What are the key properties of [1-[(E)-(1-formyloxy-1-phenylethyl)diazenyl]-1-phenylethyl] formate?
[1-[(E)-(1-formyloxy-1-phenylethyl)diazenyl]-1-phenylethyl] formate has a molecular weight of 326.35 g/mol, XLogP of 3.53, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(E)-(1-formyloxy-1-phenylethyl)diazenyl]-1-phenylethyl] formate is sourced from PubChem (CID 15577792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).