phenyl 2-diazo-3-phenylpropanoate

C15H12N2O2 — CID 175187797

IUPACphenyl 2-diazo-3-phenylpropanoate
SMILES[N-]=[N+]=C(Cc1ccccc1)C(=O)Oc1ccccc1
InChIInChI=1S/C15H12N2O2/c16-17-14(11-12-7-3-1-4-8-12)15(18)19-13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyULBXOTHOUMFMTJ-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.51
Rot. Bonds4

About phenyl 2-diazo-3-phenylpropanoate

phenyl 2-diazo-3-phenylpropanoate (PubChem CID 175187797) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is phenyl 2-diazo-3-phenylpropanoate.

Molecular Properties

Compound Namephenyl 2-diazo-3-phenylpropanoate
PubChem CID175187797
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Namephenyl 2-diazo-3-phenylpropanoate
SMILES[N-]=[N+]=C(Cc1ccccc1)C(=O)Oc1ccccc1
InChIInChI=1S/C15H12N2O2/c16-17-14(11-12-7-3-1-4-8-12)15(18)19-13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyULBXOTHOUMFMTJ-UHFFFAOYSA-N
XLogP2.51
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.51
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

phenyl 2-oxo-3-phenylpropanoate
CID 57172801
ethyl 2-diazo-3-(4-phenylmethoxyphenyl)propanoate
CID 101439417
phenyl 2-phenylacetate;zinc
CID 70522084
barium(2+);hydride;phenyl 2-phenylacetate
CID 174636717
diphenyl oxalate;ethane
CID 162013592
2-diazo-4-phenylbutanoic acid
CID 137093485
1-diazoethyl 2-phenylacetate
CID 150206878
methyl 2-diazo-5-phenylpentanoate
CID 74317102
phenyl 2-methyl-4-phenylbut-2-enoate
CID 174690725
methyl 2-diazo-3-(3-hydroxynaphthalen-2-yl)propanoate
CID 102205793
phenyl 2-azido-3-phenylpropanoate
CID 75291356
butanoic acid;phenyl 2-phenylacetate
CID 68544995

Frequently Asked Questions

What is the IUPAC name of phenyl 2-diazo-3-phenylpropanoate?
The IUPAC name of phenyl 2-diazo-3-phenylpropanoate (CID 175187797) is phenyl 2-diazo-3-phenylpropanoate.
What is the SMILES notation for phenyl 2-diazo-3-phenylpropanoate?
The canonical SMILES for phenyl 2-diazo-3-phenylpropanoate is [N-]=[N+]=C(Cc1ccccc1)C(=O)Oc1ccccc1.
What is the InChIKey of phenyl 2-diazo-3-phenylpropanoate?
The InChIKey is ULBXOTHOUMFMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c16-17-14(11-12-7-3-1-4-8-12)15(18)19-13-9-5-2-6-10-13/h1-10H,11H2.
What are the key properties of phenyl 2-diazo-3-phenylpropanoate?
phenyl 2-diazo-3-phenylpropanoate has a molecular weight of 252.27 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-diazo-3-phenylpropanoate is sourced from PubChem (CID 175187797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).