methyl 2-diazo-2-[2-(2-phenylethyl)phenyl]acetate

C17H16N2O2 — CID 101211174

IUPACmethyl 2-diazo-2-[2-(2-phenylethyl)phenyl]acetate
SMILESCOC(=O)C(=[N+]=[N-])c1ccccc1CCc1ccccc1
InChIInChI=1S/C17H16N2O2/c1-21-17(20)16(19-18)15-10-6-5-9-14(15)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
InChIKeyLWVXOEAOAVXIMR-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.66
Rot. Bonds5

About methyl 2-diazo-2-[2-(2-phenylethyl)phenyl]acetate

methyl 2-diazo-2-[2-(2-phenylethyl)phenyl]acetate (PubChem CID 101211174) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is methyl 2-diazo-2-[2-(2-phenylethyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-diazo-2-[2-(2-phenylethyl)phenyl]acetate
PubChem CID101211174
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Namemethyl 2-diazo-2-[2-(2-phenylethyl)phenyl]acetate
SMILESCOC(=O)C(=[N+]=[N-])c1ccccc1CCc1ccccc1
InChIInChI=1S/C17H16N2O2/c1-21-17(20)16(19-18)15-10-6-5-9-14(15)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
InChIKeyLWVXOEAOAVXIMR-UHFFFAOYSA-N
XLogP2.66
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.66
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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Related Compounds

methyl 2-(2-phenylethyl)benzoate
CID 59701000
methyl 2-diazo-2-[2-(2-methylphenyl)phenyl]acetate
CID 139254069
methyl 2-diazo-2-(2-ethoxyphenyl)acetate
CID 101119436
methyl 2-diazo-5-phenylpentanoate
CID 74317102
2-oxo-2-[2-(2-phenylethyl)phenyl]acetic acid
CID 19024124
methyl 2-diazo-2-[2-(4-methylphenyl)phenyl]acetate
CID 139254064
methyl 2-diazo-2-(4-phenylbutylsulfonyl)acetate
CID 101497175
methyl 2-(1-diazo-2-ethoxy-2-oxoethyl)benzoate
CID 153308839
methyl 2-[2-(2-methylphenyl)ethyl]benzoate
CID 118040129
methyl 2-(3-benzyl-2-methyl-6-pyridin-2-yl-4-pyridinyl)-2-diazoacetate
CID 137309343
methyl 2-diazo-2-[2-(2,2-dimethylpropylideneamino)phenyl]acetate
CID 75068971
(3,4-dimethylphenyl) 2-(2-phenylethyl)benzoate
CID 19181435

Frequently Asked Questions

What is the IUPAC name of methyl 2-diazo-2-[2-(2-phenylethyl)phenyl]acetate?
The IUPAC name of methyl 2-diazo-2-[2-(2-phenylethyl)phenyl]acetate (CID 101211174) is methyl 2-diazo-2-[2-(2-phenylethyl)phenyl]acetate.
What is the SMILES notation for methyl 2-diazo-2-[2-(2-phenylethyl)phenyl]acetate?
The canonical SMILES for methyl 2-diazo-2-[2-(2-phenylethyl)phenyl]acetate is COC(=O)C(=[N+]=[N-])c1ccccc1CCc1ccccc1.
What is the InChIKey of methyl 2-diazo-2-[2-(2-phenylethyl)phenyl]acetate?
The InChIKey is LWVXOEAOAVXIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-21-17(20)16(19-18)15-10-6-5-9-14(15)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3.
What are the key properties of methyl 2-diazo-2-[2-(2-phenylethyl)phenyl]acetate?
methyl 2-diazo-2-[2-(2-phenylethyl)phenyl]acetate has a molecular weight of 280.33 g/mol, XLogP of 2.66, 5 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-(2-phenylethyl)phenyl]acetate is sourced from PubChem (CID 101211174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).