phenyl 2-diazo-2-naphthalen-2-ylacetate

C18H12N2O2 — CID 162411707

IUPACphenyl 2-diazo-2-naphthalen-2-ylacetate
SMILES[N-]=[N+]=C(C(=O)Oc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C18H12N2O2/c19-20-17(18(21)22-16-8-2-1-3-9-16)15-11-10-13-6-4-5-7-14(13)12-15/h1-12H
InChIKeyMNSHFYQPBQSDIS-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.46
Rot. Bonds3

About phenyl 2-diazo-2-naphthalen-2-ylacetate

phenyl 2-diazo-2-naphthalen-2-ylacetate (PubChem CID 162411707) has the molecular formula C18H12N2O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is phenyl 2-diazo-2-naphthalen-2-ylacetate.

Molecular Properties

Compound Namephenyl 2-diazo-2-naphthalen-2-ylacetate
PubChem CID162411707
Molecular FormulaC18H12N2O2
Molecular Weight288.31 g/mol
Exact Mass288.09
IUPAC Namephenyl 2-diazo-2-naphthalen-2-ylacetate
SMILES[N-]=[N+]=C(C(=O)Oc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C18H12N2O2/c19-20-17(18(21)22-16-8-2-1-3-9-16)15-11-10-13-6-4-5-7-14(13)12-15/h1-12H
InChIKeyMNSHFYQPBQSDIS-UHFFFAOYSA-N
XLogP3.46
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.46
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

3-(2,2-dimethyl-1,2-dihydrobenzo[f]isoquinolin-4-yl)-2H-chromen-2-one
CID 1531666
Phenyl naphthalene-2-carboxylate
CID 12776830
methyl 1-(2-fluorobenzyloxy)-2-naphthylglyoxylate O-methyloxime
CID 54068788
(2,3,4,5,6-Pentafluorophenyl) 2-naphthalen-2-ylacetate
CID 154710482
(3-Fluorophenyl) 2-diazo-2-phenylacetate
CID 162411413
(4-Fluorophenyl) 2-diazo-2-phenylacetate
CID 162411583
Phenyl 4-methylnaphthalene-1-carboxylate
CID 57197049
Phenyl 2-diazo-2-phenylacetate
CID 162412066
2-Naphthaleneacetic acid, phenyl ester
CID 824858
3-Naphthalen-2-ylchromen-2-one
CID 101582069
(2-Cyanophenyl) 2-naphthalen-1-ylacetate
CID 7934938
7-(Phenoxymethyl)-8,9-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1,3,5(18),7,9,11,13,15-octaen-17-one
CID 11046392

Frequently Asked Questions

What is the IUPAC name of phenyl 2-diazo-2-naphthalen-2-ylacetate?
The IUPAC name of phenyl 2-diazo-2-naphthalen-2-ylacetate (CID 162411707) is phenyl 2-diazo-2-naphthalen-2-ylacetate.
What is the SMILES notation for phenyl 2-diazo-2-naphthalen-2-ylacetate?
The canonical SMILES for phenyl 2-diazo-2-naphthalen-2-ylacetate is [N-]=[N+]=C(C(=O)Oc1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of phenyl 2-diazo-2-naphthalen-2-ylacetate?
The InChIKey is MNSHFYQPBQSDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2/c19-20-17(18(21)22-16-8-2-1-3-9-16)15-11-10-13-6-4-5-7-14(13)12-15/h1-12H.
What are the key properties of phenyl 2-diazo-2-naphthalen-2-ylacetate?
phenyl 2-diazo-2-naphthalen-2-ylacetate has a molecular weight of 288.31 g/mol, XLogP of 3.46, 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-naphthalen-2-ylacetate is sourced from PubChem (CID 162411707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).