5-[(2,4-dimethylphenyl)diazenyl]-2-hydroxybenzaldehyde

C15H14N2O2 — CID 136794282

IUPAC5-[(2,4-dimethylphenyl)diazenyl]-2-hydroxybenzaldehyde
SMILESCc1ccc(/N=N/c2ccc(O)c(C=O)c2)c(C)c1
InChIInChI=1S/C15H14N2O2/c1-10-3-5-14(11(2)7-10)17-16-13-4-6-15(19)12(8-13)9-18/h3-9,19H,1-2H3/b17-16+
InChIKeyMNNVLCDRUHUEAH-WUKNDPDISA-N
MW254.29 g/mol
LogP4.24
Rot. Bonds3

About 5-[(2,4-dimethylphenyl)diazenyl]-2-hydroxybenzaldehyde

5-[(2,4-dimethylphenyl)diazenyl]-2-hydroxybenzaldehyde (PubChem CID 136794282) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-[(2,4-dimethylphenyl)diazenyl]-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name5-[(2,4-dimethylphenyl)diazenyl]-2-hydroxybenzaldehyde
PubChem CID136794282
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name5-[(2,4-dimethylphenyl)diazenyl]-2-hydroxybenzaldehyde
SMILESCc1ccc(/N=N/c2ccc(O)c(C=O)c2)c(C)c1
InChIInChI=1S/C15H14N2O2/c1-10-3-5-14(11(2)7-10)17-16-13-4-6-15(19)12(8-13)9-18/h3-9,19H,1-2H3/b17-16+
InChIKeyMNNVLCDRUHUEAH-WUKNDPDISA-N
XLogP4.24
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

5-[(2-bromophenyl)diazenyl]-2-hydroxybenzaldehyde
CID 578477
CID 137190326
CID 137190326
benzene-1,2-diol;2-hydroxy-5-methylbenzaldehyde
CID 175246423
CID 170841045
CID 170841045
4-[[4-[4-[(4-hydroxy-3-methylphenyl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-2-methylphenol
CID 136913309
methyl 4-[(3-formyl-4-hydroxyphenyl)diazenyl]benzoate
CID 136794481
sodium 4-[[5-[(2,4-dimethylphenyl)diazenyl]-2,4-dihydroxyphenyl]diazenyl]benzenesulfonate
CID 135570494
5-methyl-2-[(4-methylphenyl)diazenyl]phenol
CID 135467997
ethyl 3-[(3-formyl-4-hydroxyphenyl)diazenyl]benzoate
CID 136794468
2-hydroxy-5-methylbenzaldehyde;3-methylphenol
CID 87684857
2,4-dimethylbenzaldehyde;2-hydroxy-4-methylbenzaldehyde;methane
CID 161019797
2-hydroxy-3,5-dimethylbenzaldehyde
CID 4770245

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dimethylphenyl)diazenyl]-2-hydroxybenzaldehyde?
The IUPAC name of 5-[(2,4-dimethylphenyl)diazenyl]-2-hydroxybenzaldehyde (CID 136794282) is 5-[(2,4-dimethylphenyl)diazenyl]-2-hydroxybenzaldehyde.
What is the SMILES notation for 5-[(2,4-dimethylphenyl)diazenyl]-2-hydroxybenzaldehyde?
The canonical SMILES for 5-[(2,4-dimethylphenyl)diazenyl]-2-hydroxybenzaldehyde is Cc1ccc(/N=N/c2ccc(O)c(C=O)c2)c(C)c1.
What is the InChIKey of 5-[(2,4-dimethylphenyl)diazenyl]-2-hydroxybenzaldehyde?
The InChIKey is MNNVLCDRUHUEAH-WUKNDPDISA-N. The full InChI is InChI=1S/C15H14N2O2/c1-10-3-5-14(11(2)7-10)17-16-13-4-6-15(19)12(8-13)9-18/h3-9,19H,1-2H3/b17-16+.
What are the key properties of 5-[(2,4-dimethylphenyl)diazenyl]-2-hydroxybenzaldehyde?
5-[(2,4-dimethylphenyl)diazenyl]-2-hydroxybenzaldehyde has a molecular weight of 254.29 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dimethylphenyl)diazenyl]-2-hydroxybenzaldehyde is sourced from PubChem (CID 136794282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).