[[(2-methylphenyl)diazenyl]-phenylmethyl] acetate

C16H16N2O2 — CID 134935593

IUPAC[[(2-methylphenyl)diazenyl]-phenylmethyl] acetate
SMILESCC(=O)OC(/N=N/c1ccccc1C)c1ccccc1
InChIInChI=1S/C16H16N2O2/c1-12-8-6-7-11-15(12)17-18-16(20-13(2)19)14-9-4-3-5-10-14/h3-11,16H,1-2H3/b18-17+
InChIKeyVLEXMFGVZYCIGF-ISLYRVAYSA-N
MW268.32 g/mol
LogP4.34
Rot. Bonds4

About [[(2-methylphenyl)diazenyl]-phenylmethyl] acetate

[[(2-methylphenyl)diazenyl]-phenylmethyl] acetate (PubChem CID 134935593) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is [[(2-methylphenyl)diazenyl]-phenylmethyl] acetate.

Molecular Properties

Compound Name[[(2-methylphenyl)diazenyl]-phenylmethyl] acetate
PubChem CID134935593
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name[[(2-methylphenyl)diazenyl]-phenylmethyl] acetate
SMILESCC(=O)OC(/N=N/c1ccccc1C)c1ccccc1
InChIInChI=1S/C16H16N2O2/c1-12-8-6-7-11-15(12)17-18-16(20-13(2)19)14-9-4-3-5-10-14/h3-11,16H,1-2H3/b18-17+
InChIKeyVLEXMFGVZYCIGF-ISLYRVAYSA-N
XLogP4.34
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [[(2-methylphenyl)diazenyl]-phenylmethyl] acetate?
The IUPAC name of [[(2-methylphenyl)diazenyl]-phenylmethyl] acetate (CID 134935593) is [[(2-methylphenyl)diazenyl]-phenylmethyl] acetate.
What is the SMILES notation for [[(2-methylphenyl)diazenyl]-phenylmethyl] acetate?
The canonical SMILES for [[(2-methylphenyl)diazenyl]-phenylmethyl] acetate is CC(=O)OC(/N=N/c1ccccc1C)c1ccccc1.
What is the InChIKey of [[(2-methylphenyl)diazenyl]-phenylmethyl] acetate?
The InChIKey is VLEXMFGVZYCIGF-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-12-8-6-7-11-15(12)17-18-16(20-13(2)19)14-9-4-3-5-10-14/h3-11,16H,1-2H3/b18-17+.
What are the key properties of [[(2-methylphenyl)diazenyl]-phenylmethyl] acetate?
[[(2-methylphenyl)diazenyl]-phenylmethyl] acetate has a molecular weight of 268.32 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[(2-methylphenyl)diazenyl]-phenylmethyl] acetate is sourced from PubChem (CID 134935593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).