2-diazo-1-[2-(methoxymethoxy)-5-phenoxyphenyl]ethanone

C16H14N2O4 — CID 85281521

IUPAC2-diazo-1-[2-(methoxymethoxy)-5-phenoxyphenyl]ethanone
SMILESCOCOc1ccc(Oc2ccccc2)cc1C(=O)C=[N+]=[N-]
InChIInChI=1S/C16H14N2O4/c1-20-11-21-16-8-7-13(9-14(16)15(19)10-18-17)22-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeySABYJWOVQHQDQR-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.94
Rot. Bonds7

About 2-diazo-1-[2-(methoxymethoxy)-5-phenoxyphenyl]ethanone

2-diazo-1-[2-(methoxymethoxy)-5-phenoxyphenyl]ethanone (PubChem CID 85281521) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 2-diazo-1-[2-(methoxymethoxy)-5-phenoxyphenyl]ethanone.

Molecular Properties

Compound Name2-diazo-1-[2-(methoxymethoxy)-5-phenoxyphenyl]ethanone
PubChem CID85281521
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name2-diazo-1-[2-(methoxymethoxy)-5-phenoxyphenyl]ethanone
SMILESCOCOc1ccc(Oc2ccccc2)cc1C(=O)C=[N+]=[N-]
InChIInChI=1S/C16H14N2O4/c1-20-11-21-16-8-7-13(9-14(16)15(19)10-18-17)22-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeySABYJWOVQHQDQR-UHFFFAOYSA-N
XLogP2.94
TPSA81.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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 2-diazo-1-[2-(methoxymethoxy)-5-phenoxyphenyl]ethanone?
The IUPAC name of 2-diazo-1-[2-(methoxymethoxy)-5-phenoxyphenyl]ethanone (CID 85281521) is 2-diazo-1-[2-(methoxymethoxy)-5-phenoxyphenyl]ethanone.
What is the SMILES notation for 2-diazo-1-[2-(methoxymethoxy)-5-phenoxyphenyl]ethanone?
The canonical SMILES for 2-diazo-1-[2-(methoxymethoxy)-5-phenoxyphenyl]ethanone is COCOc1ccc(Oc2ccccc2)cc1C(=O)C=[N+]=[N-].
What is the InChIKey of 2-diazo-1-[2-(methoxymethoxy)-5-phenoxyphenyl]ethanone?
The InChIKey is SABYJWOVQHQDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-20-11-21-16-8-7-13(9-14(16)15(19)10-18-17)22-12-5-3-2-4-6-12/h2-10H,11H2,1H3.
What are the key properties of 2-diazo-1-[2-(methoxymethoxy)-5-phenoxyphenyl]ethanone?
2-diazo-1-[2-(methoxymethoxy)-5-phenoxyphenyl]ethanone has a molecular weight of 298.30 g/mol, XLogP of 2.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazo-1-[2-(methoxymethoxy)-5-phenoxyphenyl]ethanone is sourced from PubChem (CID 85281521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).