1-(4-phenyldiazenylphenyl)propan-2-yl 2-methylprop-2-enoate

C19H20N2O2 — CID 174346724

IUPAC1-(4-phenyldiazenylphenyl)propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)Cc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C19H20N2O2/c1-14(2)19(22)23-15(3)13-16-9-11-18(12-10-16)21-20-17-7-5-4-6-8-17/h4-12,15H,1,13H2,2-3H3/b21-20+
InChIKeyOYTFAIRYBAJHKE-QZQOTICOSA-N
MW308.38 g/mol
LogP5.15
Rot. Bonds6

About 1-(4-phenyldiazenylphenyl)propan-2-yl 2-methylprop-2-enoate

1-(4-phenyldiazenylphenyl)propan-2-yl 2-methylprop-2-enoate (PubChem CID 174346724) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-(4-phenyldiazenylphenyl)propan-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-(4-phenyldiazenylphenyl)propan-2-yl 2-methylprop-2-enoate
PubChem CID174346724
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name1-(4-phenyldiazenylphenyl)propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)Cc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C19H20N2O2/c1-14(2)19(22)23-15(3)13-16-9-11-18(12-10-16)21-20-17-7-5-4-6-8-17/h4-12,15H,1,13H2,2-3H3/b21-20+
InChIKeyOYTFAIRYBAJHKE-QZQOTICOSA-N
XLogP5.15
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.38
LogP ≤ 55.15
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-phenylpropan-2-yl 2-methylprop-2-enoate
CID 68742666
1-[N-[1-(2-methylprop-2-enoyloxy)ethyl]-4-phenyldiazenylanilino]ethyl 2-methylprop-2-enoate
CID 141217481
4-[2-(2-methylprop-2-enoyloxy)propyl]benzenesulfonic acid
CID 88730575
(4-hydroxy-4-phenylpentan-2-yl) 2-methylprop-2-enoate
CID 145165282
(3-chloro-3-methyl-1-phenylbutan-2-yl) 2-methylprop-2-enoate
CID 68660324
[1-(oxiran-2-yl)-2-phenylethyl] 2-methylprop-2-enoate
CID 169086617
propan-2-yl 4-phenyldiazenylbenzoate
CID 89049072
2-(2-methylprop-2-enoyloxy)propyl-phenylcarbamic acid
CID 23221364
benzene;propan-2-yl 2-methylprop-2-enoate
CID 174524984
4-aminopentan-2-yl 2-methylprop-2-enoate;diphenylmethanone
CID 175127791
ethane-1,2-diol;1-phenylethyl 2-methylprop-2-enoate
CID 22590329
benzyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 21188240

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenyldiazenylphenyl)propan-2-yl 2-methylprop-2-enoate?
The IUPAC name of 1-(4-phenyldiazenylphenyl)propan-2-yl 2-methylprop-2-enoate (CID 174346724) is 1-(4-phenyldiazenylphenyl)propan-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 1-(4-phenyldiazenylphenyl)propan-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 1-(4-phenyldiazenylphenyl)propan-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)Cc1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of 1-(4-phenyldiazenylphenyl)propan-2-yl 2-methylprop-2-enoate?
The InChIKey is OYTFAIRYBAJHKE-QZQOTICOSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-14(2)19(22)23-15(3)13-16-9-11-18(12-10-16)21-20-17-7-5-4-6-8-17/h4-12,15H,1,13H2,2-3H3/b21-20+.
What are the key properties of 1-(4-phenyldiazenylphenyl)propan-2-yl 2-methylprop-2-enoate?
1-(4-phenyldiazenylphenyl)propan-2-yl 2-methylprop-2-enoate has a molecular weight of 308.38 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenyldiazenylphenyl)propan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 174346724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).