(2-hydroxy-4-methyl-5-phenyldiazenylphenyl)-phenylmethanone

C20H16N2O2 — CID 3578467

IUPAC(2-hydroxy-4-methyl-5-phenyldiazenylphenyl)-phenylmethanone
SMILESCc1cc(O)c(C(=O)c2ccccc2)cc1/N=N/c1ccccc1
InChIInChI=1S/C20H16N2O2/c1-14-12-19(23)17(20(24)15-8-4-2-5-9-15)13-18(14)22-21-16-10-6-3-7-11-16/h2-13,23H,1H3/b22-21+
InChIKeyGBTUPQUCEMHDKN-QURGRASLSA-N
MW316.36 g/mol
LogP5.35
Rot. Bonds4

About (2-hydroxy-4-methyl-5-phenyldiazenylphenyl)-phenylmethanone

(2-hydroxy-4-methyl-5-phenyldiazenylphenyl)-phenylmethanone (PubChem CID 3578467) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is (2-hydroxy-4-methyl-5-phenyldiazenylphenyl)-phenylmethanone.

Molecular Properties

Compound Name(2-hydroxy-4-methyl-5-phenyldiazenylphenyl)-phenylmethanone
PubChem CID3578467
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name(2-hydroxy-4-methyl-5-phenyldiazenylphenyl)-phenylmethanone
SMILESCc1cc(O)c(C(=O)c2ccccc2)cc1/N=N/c1ccccc1
InChIInChI=1S/C20H16N2O2/c1-14-12-19(23)17(20(24)15-8-4-2-5-9-15)13-18(14)22-21-16-10-6-3-7-11-16/h2-13,23H,1H3/b22-21+
InChIKeyGBTUPQUCEMHDKN-QURGRASLSA-N
XLogP5.35
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.36
LogP ≤ 55.35
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

(4-hydroxy-2,5-dimethylphenyl)-phenylmethanone
CID 19026877
(2-hydroxy-5-methoxy-4-methylphenyl)-phenylmethanone;methane
CID 175255493
4-[[4-[(4-carboxyphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]benzoic acid
CID 177296906
2-phenyldiazenylphenol
CID 16897
4-chloro-5-methyl-2-phenyldiazenylphenol
CID 135930261
[3-[(4-methylphenyl)diazenyl]phenyl]-phenylmethanone
CID 134953272
N-[[4-[(5-benzoyl-4-hydroxy-2-methoxyphenyl)diazenyl]phenyl]methyl]prop-2-enamide
CID 136646298
[2-[(2,4-dimethylphenyl)diazenyl]-3,5-dimethylphenyl]-phenylmethanone
CID 72700948
[5-chloro-2-[(4-chlorophenyl)diazenyl]phenyl]-phenylmethanone
CID 102337066
(4-hydroxy-3-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl)-phenylmethanone
CID 70476179
2-[4-[(5-benzoyl-2-ethoxy-4-hydroxyphenyl)diazenyl]phenyl]ethyl 2-methylpropanoate
CID 144837612
(4-fluorophenyl)-(2-phenyldiazenylphenyl)methanone
CID 132531231

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-4-methyl-5-phenyldiazenylphenyl)-phenylmethanone?
The IUPAC name of (2-hydroxy-4-methyl-5-phenyldiazenylphenyl)-phenylmethanone (CID 3578467) is (2-hydroxy-4-methyl-5-phenyldiazenylphenyl)-phenylmethanone.
What is the SMILES notation for (2-hydroxy-4-methyl-5-phenyldiazenylphenyl)-phenylmethanone?
The canonical SMILES for (2-hydroxy-4-methyl-5-phenyldiazenylphenyl)-phenylmethanone is Cc1cc(O)c(C(=O)c2ccccc2)cc1/N=N/c1ccccc1.
What is the InChIKey of (2-hydroxy-4-methyl-5-phenyldiazenylphenyl)-phenylmethanone?
The InChIKey is GBTUPQUCEMHDKN-QURGRASLSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-14-12-19(23)17(20(24)15-8-4-2-5-9-15)13-18(14)22-21-16-10-6-3-7-11-16/h2-13,23H,1H3/b22-21+.
What are the key properties of (2-hydroxy-4-methyl-5-phenyldiazenylphenyl)-phenylmethanone?
(2-hydroxy-4-methyl-5-phenyldiazenylphenyl)-phenylmethanone has a molecular weight of 316.36 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-4-methyl-5-phenyldiazenylphenyl)-phenylmethanone is sourced from PubChem (CID 3578467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).