1-(1H-indol-3-yl)-2-(4-phenyldiazenylphenoxy)ethanone

C22H17N3O2 — CID 3534156

IUPAC1-(1H-indol-3-yl)-2-(4-phenyldiazenylphenoxy)ethanone
SMILESO=C(COc1ccc(/N=N/c2ccccc2)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C22H17N3O2/c26-22(20-14-23-21-9-5-4-8-19(20)21)15-27-18-12-10-17(11-13-18)25-24-16-6-2-1-3-7-16/h1-14,23H,15H2/b25-24+
InChIKeyVKCQBTGFKOHSJX-OCOZRVBESA-N
MW355.40 g/mol
LogP5.84
Rot. Bonds6

About 1-(1H-indol-3-yl)-2-(4-phenyldiazenylphenoxy)ethanone

1-(1H-indol-3-yl)-2-(4-phenyldiazenylphenoxy)ethanone (PubChem CID 3534156) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-2-(4-phenyldiazenylphenoxy)ethanone.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-2-(4-phenyldiazenylphenoxy)ethanone
PubChem CID3534156
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name1-(1H-indol-3-yl)-2-(4-phenyldiazenylphenoxy)ethanone
SMILESO=C(COc1ccc(/N=N/c2ccccc2)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C22H17N3O2/c26-22(20-14-23-21-9-5-4-8-19(20)21)15-27-18-12-10-17(11-13-18)25-24-16-6-2-1-3-7-16/h1-14,23H,15H2/b25-24+
InChIKeyVKCQBTGFKOHSJX-OCOZRVBESA-N
XLogP5.84
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.40
LogP ≤ 55.84
H-Bond Donors ≤ 51
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

2-(1,3-benzodioxol-5-yloxy)-1-(1H-indol-3-yl)ethanone
CID 2989682
[2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-formylphenoxy)acetate
CID 4004655
N-(2-phenoxyethyl)-1H-indole-3-carboxamide
CID 17447492
2-fluoro-1-(1H-indol-3-yl)ethanone
CID 174847348
2-bromo-1-(1H-indol-3-yl)ethanone
CID 11310936
[2-(1H-indol-3-yl)-2-oxoethyl] 2-methoxyacetate
CID 7775914
[2-(1H-indol-3-yl)-2-oxoethyl] butanoate
CID 4687931
[2-(1H-indol-3-yl)-2-oxoethyl] 4-(3-methylbutoxy)benzoate
CID 4014387
[2-(1H-indol-3-yl)-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 7694694
[2-(1H-indol-3-yl)-2-oxoethyl] 2-phenoxybenzoate
CID 3384233
N'-[2-(4-ethoxyphenoxy)acetyl]-1H-indole-3-carbohydrazide
CID 30455658
sodium 1H-indole-3-carboxylate
CID 23698293

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-2-(4-phenyldiazenylphenoxy)ethanone?
The IUPAC name of 1-(1H-indol-3-yl)-2-(4-phenyldiazenylphenoxy)ethanone (CID 3534156) is 1-(1H-indol-3-yl)-2-(4-phenyldiazenylphenoxy)ethanone.
What is the SMILES notation for 1-(1H-indol-3-yl)-2-(4-phenyldiazenylphenoxy)ethanone?
The canonical SMILES for 1-(1H-indol-3-yl)-2-(4-phenyldiazenylphenoxy)ethanone is O=C(COc1ccc(/N=N/c2ccccc2)cc1)c1c[nH]c2ccccc12.
What is the InChIKey of 1-(1H-indol-3-yl)-2-(4-phenyldiazenylphenoxy)ethanone?
The InChIKey is VKCQBTGFKOHSJX-OCOZRVBESA-N. The full InChI is InChI=1S/C22H17N3O2/c26-22(20-14-23-21-9-5-4-8-19(20)21)15-27-18-12-10-17(11-13-18)25-24-16-6-2-1-3-7-16/h1-14,23H,15H2/b25-24+.
What are the key properties of 1-(1H-indol-3-yl)-2-(4-phenyldiazenylphenoxy)ethanone?
1-(1H-indol-3-yl)-2-(4-phenyldiazenylphenoxy)ethanone has a molecular weight of 355.40 g/mol, XLogP of 5.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-2-(4-phenyldiazenylphenoxy)ethanone is sourced from PubChem (CID 3534156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).