2-[(2,4-dimethoxyphenyl)diazenyl]propyl formate

C12H16N2O4 — CID 89355065

IUPAC2-[(2,4-dimethoxyphenyl)diazenyl]propyl formate
SMILESCOc1ccc(/N=N/C(C)COC=O)c(OC)c1
InChIInChI=1S/C12H16N2O4/c1-9(7-18-8-15)13-14-11-5-4-10(16-2)6-12(11)17-3/h4-6,8-9H,7H2,1-3H3/b14-13+
InChIKeyCKYRRDDJADLGRS-BUHFOSPRSA-N
MW252.27 g/mol
LogP2.35
Rot. Bonds7

About 2-[(2,4-dimethoxyphenyl)diazenyl]propyl formate

2-[(2,4-dimethoxyphenyl)diazenyl]propyl formate (PubChem CID 89355065) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyphenyl)diazenyl]propyl formate.

Molecular Properties

Compound Name2-[(2,4-dimethoxyphenyl)diazenyl]propyl formate
PubChem CID89355065
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2-[(2,4-dimethoxyphenyl)diazenyl]propyl formate
SMILESCOc1ccc(/N=N/C(C)COC=O)c(OC)c1
InChIInChI=1S/C12H16N2O4/c1-9(7-18-8-15)13-14-11-5-4-10(16-2)6-12(11)17-3/h4-6,8-9H,7H2,1-3H3/b14-13+
InChIKeyCKYRRDDJADLGRS-BUHFOSPRSA-N
XLogP2.35
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

[(E)-3-(2,4-dimethoxyphenyl)prop-2-enyl] formate
CID 173173470
2-(3-methoxyphenyl)propyl formate
CID 91471144
(2,4-dimethoxyphenyl) formate
CID 11137749
3-(2,4-dimethoxyphenyl)butanal
CID 83834095
ethyl 2-(2,4-dimethoxyphenyl)iminoacetate
CID 101411260
2-(2,4-dimethoxyphenyl)propanedial
CID 98587471
2-(2,5-dimethoxyphenyl)propanal
CID 596766
1-(2,4-dimethoxyphenyl)-2-ethylbutan-1-one
CID 114971207
2-[(2,4-dimethoxyphenyl)diazenyl]-2-quinolin-2-ylacetonitrile
CID 123852962
2,4-dimethoxybenzoate
CID 6947027
3-chloro-3-(2,4-dimethoxyphenyl)prop-2-enal
CID 86190919
3-(2,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-3-oxopropanal
CID 123189211

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxyphenyl)diazenyl]propyl formate?
The IUPAC name of 2-[(2,4-dimethoxyphenyl)diazenyl]propyl formate (CID 89355065) is 2-[(2,4-dimethoxyphenyl)diazenyl]propyl formate.
What is the SMILES notation for 2-[(2,4-dimethoxyphenyl)diazenyl]propyl formate?
The canonical SMILES for 2-[(2,4-dimethoxyphenyl)diazenyl]propyl formate is COc1ccc(/N=N/C(C)COC=O)c(OC)c1.
What is the InChIKey of 2-[(2,4-dimethoxyphenyl)diazenyl]propyl formate?
The InChIKey is CKYRRDDJADLGRS-BUHFOSPRSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-9(7-18-8-15)13-14-11-5-4-10(16-2)6-12(11)17-3/h4-6,8-9H,7H2,1-3H3/b14-13+.
What are the key properties of 2-[(2,4-dimethoxyphenyl)diazenyl]propyl formate?
2-[(2,4-dimethoxyphenyl)diazenyl]propyl formate has a molecular weight of 252.27 g/mol, XLogP of 2.35, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyphenyl)diazenyl]propyl formate is sourced from PubChem (CID 89355065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).