[3-[(4-methylphenyl)diazenyl]phenyl]-phenylmethanone

C20H16N2O — CID 134953272

IUPAC[3-[(4-methylphenyl)diazenyl]phenyl]-phenylmethanone
SMILESCc1ccc(/N=N/c2cccc(C(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C20H16N2O/c1-15-10-12-18(13-11-15)21-22-19-9-5-8-17(14-19)20(23)16-6-3-2-4-7-16/h2-14H,1H3/b22-21+
InChIKeyLOMJDGLNECPSQR-QURGRASLSA-N
MW300.36 g/mol
LogP5.64
Rot. Bonds4

About [3-[(4-methylphenyl)diazenyl]phenyl]-phenylmethanone

[3-[(4-methylphenyl)diazenyl]phenyl]-phenylmethanone (PubChem CID 134953272) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is [3-[(4-methylphenyl)diazenyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[3-[(4-methylphenyl)diazenyl]phenyl]-phenylmethanone
PubChem CID134953272
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name[3-[(4-methylphenyl)diazenyl]phenyl]-phenylmethanone
SMILESCc1ccc(/N=N/c2cccc(C(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C20H16N2O/c1-15-10-12-18(13-11-15)21-22-19-9-5-8-17(14-19)20(23)16-6-3-2-4-7-16/h2-14H,1H3/b22-21+
InChIKeyLOMJDGLNECPSQR-QURGRASLSA-N
XLogP5.64
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.36
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

3-phenyldiazenylbenzoic acid
CID 555783
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
(3-benzoylphenyl)-phenylmethanone;ethane
CID 145125865
diphenylmethanone;ethane;toluene
CID 157406780
ethane;[4-[4-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanone
CID 159022602
2-(dimethylamino)-1-(3-phenyldiazenylphenyl)ethanone
CID 170896073
disodium;3-[(3-carboxylatophenyl)diazenyl]benzoate
CID 101498255
[3-(2,5-dimethylbenzoyl)phenyl]-phenylmethanone
CID 90191697
bis(3-methylphenyl)methanone
CID 17848
[4-(4-methylbenzenecarbothioyl)phenyl]-phenylmethanone
CID 151070047
2-methylbenzene-1,3-dicarboxylic acid;(4-methylphenyl)-phenylmethanone
CID 174815281
CID 70870278
CID 70870278

Frequently Asked Questions

What is the IUPAC name of [3-[(4-methylphenyl)diazenyl]phenyl]-phenylmethanone?
The IUPAC name of [3-[(4-methylphenyl)diazenyl]phenyl]-phenylmethanone (CID 134953272) is [3-[(4-methylphenyl)diazenyl]phenyl]-phenylmethanone.
What is the SMILES notation for [3-[(4-methylphenyl)diazenyl]phenyl]-phenylmethanone?
The canonical SMILES for [3-[(4-methylphenyl)diazenyl]phenyl]-phenylmethanone is Cc1ccc(/N=N/c2cccc(C(=O)c3ccccc3)c2)cc1.
What is the InChIKey of [3-[(4-methylphenyl)diazenyl]phenyl]-phenylmethanone?
The InChIKey is LOMJDGLNECPSQR-QURGRASLSA-N. The full InChI is InChI=1S/C20H16N2O/c1-15-10-12-18(13-11-15)21-22-19-9-5-8-17(14-19)20(23)16-6-3-2-4-7-16/h2-14H,1H3/b22-21+.
What are the key properties of [3-[(4-methylphenyl)diazenyl]phenyl]-phenylmethanone?
[3-[(4-methylphenyl)diazenyl]phenyl]-phenylmethanone has a molecular weight of 300.36 g/mol, XLogP of 5.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-methylphenyl)diazenyl]phenyl]-phenylmethanone is sourced from PubChem (CID 134953272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).