phenyl 2-diazo-2-phenylacetate

C14H10N2O2 — CID 162412066

IUPACphenyl 2-diazo-2-phenylacetate
SMILES[N-]=[N+]=C(C(=O)Oc1ccccc1)c1ccccc1
InChIInChI=1S/C14H10N2O2/c15-16-13(11-7-3-1-4-8-11)14(17)18-12-9-5-2-6-10-12/h1-10H
InChIKeyGSNYIYBBZMWSBC-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.31
Rot. Bonds3

About phenyl 2-diazo-2-phenylacetate

phenyl 2-diazo-2-phenylacetate (PubChem CID 162412066) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is phenyl 2-diazo-2-phenylacetate.

Molecular Properties

Compound Namephenyl 2-diazo-2-phenylacetate
PubChem CID162412066
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Namephenyl 2-diazo-2-phenylacetate
SMILES[N-]=[N+]=C(C(=O)Oc1ccccc1)c1ccccc1
InChIInChI=1S/C14H10N2O2/c15-16-13(11-7-3-1-4-8-11)14(17)18-12-9-5-2-6-10-12/h1-10H
InChIKeyGSNYIYBBZMWSBC-UHFFFAOYSA-N
XLogP2.31
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.31
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': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

p-CRESYL PHENYLACETATE
CID 60997
Phenyl phenylacetate
CID 164721
Phenylacetic acid, 2-methylphenyl ester
CID 530818
Phenyl 3-phenylpropanoate
CID 530835
2-Phenylacetic acid, 2-fluorophenyl ester
CID 91699549
Phenyl 2-phenylprop-2-enoate
CID 21881697
Methyl 2-diazo-2-(3-methoxyphenyl)acetate
CID 75094312
2,5-Diphenyl-6H-1,3,4-oxadiazin-6-one
CID 325671
Phenylacetic acid, 4-cyanophenyl ester
CID 532300
ethyl (2Z)-2-(2-acetyloxy-4-fluorophenyl)-2-methoxyiminoacetate
CID 56601406
(3-Fluorophenyl) 2-diazo-2-phenylacetate
CID 162411413
(4-Fluorophenyl) 2-diazo-2-phenylacetate
CID 162411583

Frequently Asked Questions

What is the IUPAC name of phenyl 2-diazo-2-phenylacetate?
The IUPAC name of phenyl 2-diazo-2-phenylacetate (CID 162412066) is phenyl 2-diazo-2-phenylacetate.
What is the SMILES notation for phenyl 2-diazo-2-phenylacetate?
The canonical SMILES for phenyl 2-diazo-2-phenylacetate is [N-]=[N+]=C(C(=O)Oc1ccccc1)c1ccccc1.
What is the InChIKey of phenyl 2-diazo-2-phenylacetate?
The InChIKey is GSNYIYBBZMWSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c15-16-13(11-7-3-1-4-8-11)14(17)18-12-9-5-2-6-10-12/h1-10H.
What are the key properties of phenyl 2-diazo-2-phenylacetate?
phenyl 2-diazo-2-phenylacetate has a molecular weight of 238.25 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-diazo-2-phenylacetate is sourced from PubChem (CID 162412066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).