propan-2-yl 4-phenyldiazenylbenzoate

C16H16N2O2 — CID 89049072

IUPACpropan-2-yl 4-phenyldiazenylbenzoate
SMILESCC(C)OC(=O)c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C16H16N2O2/c1-12(2)20-16(19)13-8-10-15(11-9-13)18-17-14-6-4-3-5-7-14/h3-12H,1-2H3/b18-17+
InChIKeySTWLGOCGJHSQEV-ISLYRVAYSA-N
MW268.32 g/mol
LogP4.67
Rot. Bonds4

About propan-2-yl 4-phenyldiazenylbenzoate

propan-2-yl 4-phenyldiazenylbenzoate (PubChem CID 89049072) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is propan-2-yl 4-phenyldiazenylbenzoate.

Molecular Properties

Compound Namepropan-2-yl 4-phenyldiazenylbenzoate
PubChem CID89049072
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Namepropan-2-yl 4-phenyldiazenylbenzoate
SMILESCC(C)OC(=O)c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C16H16N2O2/c1-12(2)20-16(19)13-8-10-15(11-9-13)18-17-14-6-4-3-5-7-14/h3-12H,1-2H3/b18-17+
InChIKeySTWLGOCGJHSQEV-ISLYRVAYSA-N
XLogP4.67
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 54.67
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'}

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Related Compounds

1-phenylethyl 4-[[4-(1-phenylethoxycarbonyl)phenyl]diazenyl]benzoate
CID 101338336
magnesium;dipropan-2-yl benzene-1,4-dicarboxylate;hydride
CID 174514429
propan-2-yl 4-benzoyloxybenzoate
CID 17160844
CID 154075850
CID 154075850
propan-2-yl 4-acetylbenzoate
CID 10878303
4-phenyldiazenylbenzoic acid
CID 15276
propan-2-yl 4-(4-propan-2-yloxycarbonylphenoxy)benzoate
CID 142863752
ethane;1-(4-phenyldiazenylphenyl)ethanone
CID 165138177
zinc propan-2-yl 4-hydroxybenzoate
CID 54602710
propan-2-yl 4-carbonochloridoylbenzoate
CID 91331513
bis(propan-2-yl 4-hydroxybenzoate);zinc
CID 122130630
propan-2-yl 4-(phenoxymethyl)benzoate
CID 55357147

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-phenyldiazenylbenzoate?
The IUPAC name of propan-2-yl 4-phenyldiazenylbenzoate (CID 89049072) is propan-2-yl 4-phenyldiazenylbenzoate.
What is the SMILES notation for propan-2-yl 4-phenyldiazenylbenzoate?
The canonical SMILES for propan-2-yl 4-phenyldiazenylbenzoate is CC(C)OC(=O)c1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of propan-2-yl 4-phenyldiazenylbenzoate?
The InChIKey is STWLGOCGJHSQEV-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-12(2)20-16(19)13-8-10-15(11-9-13)18-17-14-6-4-3-5-7-14/h3-12H,1-2H3/b18-17+.
What are the key properties of propan-2-yl 4-phenyldiazenylbenzoate?
propan-2-yl 4-phenyldiazenylbenzoate has a molecular weight of 268.32 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-phenyldiazenylbenzoate is sourced from PubChem (CID 89049072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).