methyl 2-diazo-2-[2-(4-methylphenyl)phenyl]acetate

C16H14N2O2 — CID 139254064

IUPACmethyl 2-diazo-2-[2-(4-methylphenyl)phenyl]acetate
SMILESCOC(=O)C(=[N+]=[N-])c1ccccc1-c1ccc(C)cc1
InChIInChI=1S/C16H14N2O2/c1-11-7-9-12(10-8-11)13-5-3-4-6-14(13)15(18-17)16(19)20-2/h3-10H,1-2H3
InChIKeyAYHZBQVXODKUJS-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.85
Rot. Bonds3

About methyl 2-diazo-2-[2-(4-methylphenyl)phenyl]acetate

methyl 2-diazo-2-[2-(4-methylphenyl)phenyl]acetate (PubChem CID 139254064) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 2-diazo-2-[2-(4-methylphenyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-diazo-2-[2-(4-methylphenyl)phenyl]acetate
PubChem CID139254064
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Namemethyl 2-diazo-2-[2-(4-methylphenyl)phenyl]acetate
SMILESCOC(=O)C(=[N+]=[N-])c1ccccc1-c1ccc(C)cc1
InChIInChI=1S/C16H14N2O2/c1-11-7-9-12(10-8-11)13-5-3-4-6-14(13)15(18-17)16(19)20-2/h3-10H,1-2H3
InChIKeyAYHZBQVXODKUJS-UHFFFAOYSA-N
XLogP2.85
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-diazo-2-[2-(4-methylphenyl)phenyl]acetate?
The IUPAC name of methyl 2-diazo-2-[2-(4-methylphenyl)phenyl]acetate (CID 139254064) is methyl 2-diazo-2-[2-(4-methylphenyl)phenyl]acetate.
What is the SMILES notation for methyl 2-diazo-2-[2-(4-methylphenyl)phenyl]acetate?
The canonical SMILES for methyl 2-diazo-2-[2-(4-methylphenyl)phenyl]acetate is COC(=O)C(=[N+]=[N-])c1ccccc1-c1ccc(C)cc1.
What is the InChIKey of methyl 2-diazo-2-[2-(4-methylphenyl)phenyl]acetate?
The InChIKey is AYHZBQVXODKUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-11-7-9-12(10-8-11)13-5-3-4-6-14(13)15(18-17)16(19)20-2/h3-10H,1-2H3.
What are the key properties of methyl 2-diazo-2-[2-(4-methylphenyl)phenyl]acetate?
methyl 2-diazo-2-[2-(4-methylphenyl)phenyl]acetate has a molecular weight of 266.30 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-diazo-2-[2-(4-methylphenyl)phenyl]acetate is sourced from PubChem (CID 139254064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).