[2-(2-methylprop-2-enoyloxy)-3-phenyldiazenylphenyl] 2-methylprop-2-enoate

C20H18N2O4 — CID 172876417

IUPAC[2-(2-methylprop-2-enoyloxy)-3-phenyldiazenylphenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1cccc(/N=N/c2ccccc2)c1OC(=O)C(=C)C
InChIInChI=1S/C20H18N2O4/c1-13(2)19(23)25-17-12-8-11-16(18(17)26-20(24)14(3)4)22-21-15-9-6-5-7-10-15/h5-12H,1,3H2,2,4H3/b22-21+
InChIKeyAGPKOZDWMOGUMD-QURGRASLSA-N
MW350.37 g/mol
LogP5.07
Rot. Bonds6

About [2-(2-methylprop-2-enoyloxy)-3-phenyldiazenylphenyl] 2-methylprop-2-enoate

[2-(2-methylprop-2-enoyloxy)-3-phenyldiazenylphenyl] 2-methylprop-2-enoate (PubChem CID 172876417) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is [2-(2-methylprop-2-enoyloxy)-3-phenyldiazenylphenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-(2-methylprop-2-enoyloxy)-3-phenyldiazenylphenyl] 2-methylprop-2-enoate
PubChem CID172876417
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name[2-(2-methylprop-2-enoyloxy)-3-phenyldiazenylphenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1cccc(/N=N/c2ccccc2)c1OC(=O)C(=C)C
InChIInChI=1S/C20H18N2O4/c1-13(2)19(23)25-17-12-8-11-16(18(17)26-20(24)14(3)4)22-21-15-9-6-5-7-10-15/h5-12H,1,3H2,2,4H3/b22-21+
InChIKeyAGPKOZDWMOGUMD-QURGRASLSA-N
XLogP5.07
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.37
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [2-(2-methylprop-2-enoyloxy)-3-phenyldiazenylphenyl] 2-methylprop-2-enoate with MolForge

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Related Compounds

ethane;naphthalen-1-yl 2-methylprop-2-enoate
CID 91365419
naphthalen-1-yl 2-methylprop-2-enoate;prop-2-enoic acid
CID 174897814
(3-acetyloxy-2-phenyldiazenylphenyl) acetate
CID 134935103
(8-phenyldiazenyl-2,3,4,5,6,7-hexahydro-1-benzoxonin-11-yl) 2-methylprop-2-enoate
CID 139829299
(3-isocyanato-2-methylphenyl) 2-methylprop-2-enoate
CID 15109973
(2-acetylphenyl) 2-methylprop-2-enoate
CID 19877902
[2-[1,2,2-tris[2-(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate
CID 162511991
(2-ethenylphenyl) 2-methylprop-2-enoate
CID 19607397
(2,3-dimethylazulen-1-yl) 2-methylprop-2-enoate
CID 164546738
2-amino-3-(2-methylprop-2-enoyloxy)benzoic acid
CID 23083813
[2-isocyanato-3-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
CID 150639806
(4-chloronaphthalen-1-yl) 2-methylprop-2-enoate
CID 13195611

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylprop-2-enoyloxy)-3-phenyldiazenylphenyl] 2-methylprop-2-enoate?
The IUPAC name of [2-(2-methylprop-2-enoyloxy)-3-phenyldiazenylphenyl] 2-methylprop-2-enoate (CID 172876417) is [2-(2-methylprop-2-enoyloxy)-3-phenyldiazenylphenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-(2-methylprop-2-enoyloxy)-3-phenyldiazenylphenyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-(2-methylprop-2-enoyloxy)-3-phenyldiazenylphenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1cccc(/N=N/c2ccccc2)c1OC(=O)C(=C)C.
What is the InChIKey of [2-(2-methylprop-2-enoyloxy)-3-phenyldiazenylphenyl] 2-methylprop-2-enoate?
The InChIKey is AGPKOZDWMOGUMD-QURGRASLSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-13(2)19(23)25-17-12-8-11-16(18(17)26-20(24)14(3)4)22-21-15-9-6-5-7-10-15/h5-12H,1,3H2,2,4H3/b22-21+.
What are the key properties of [2-(2-methylprop-2-enoyloxy)-3-phenyldiazenylphenyl] 2-methylprop-2-enoate?
[2-(2-methylprop-2-enoyloxy)-3-phenyldiazenylphenyl] 2-methylprop-2-enoate has a molecular weight of 350.37 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylprop-2-enoyloxy)-3-phenyldiazenylphenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 172876417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).