2-[2-hydroxy-5-[(3-methylphenyl)diazenyl]phenyl]acetic acid

C15H14N2O3 — CID 135843564

IUPAC2-[2-hydroxy-5-[(3-methylphenyl)diazenyl]phenyl]acetic acid
SMILESCc1cccc(/N=N/c2ccc(O)c(CC(=O)O)c2)c1
InChIInChI=1S/C15H14N2O3/c1-10-3-2-4-12(7-10)16-17-13-5-6-14(18)11(8-13)9-15(19)20/h2-8,18H,9H2,1H3,(H,19,20)/b17-16+
InChIKeyTUFWGOUGYVCUSD-WUKNDPDISA-N
MW270.29 g/mol
LogP3.74
Rot. Bonds4

About 2-[2-hydroxy-5-[(3-methylphenyl)diazenyl]phenyl]acetic acid

2-[2-hydroxy-5-[(3-methylphenyl)diazenyl]phenyl]acetic acid (PubChem CID 135843564) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-[2-hydroxy-5-[(3-methylphenyl)diazenyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-hydroxy-5-[(3-methylphenyl)diazenyl]phenyl]acetic acid
PubChem CID135843564
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name2-[2-hydroxy-5-[(3-methylphenyl)diazenyl]phenyl]acetic acid
SMILESCc1cccc(/N=N/c2ccc(O)c(CC(=O)O)c2)c1
InChIInChI=1S/C15H14N2O3/c1-10-3-2-4-12(7-10)16-17-13-5-6-14(18)11(8-13)9-15(19)20/h2-8,18H,9H2,1H3,(H,19,20)/b17-16+
InChIKeyTUFWGOUGYVCUSD-WUKNDPDISA-N
XLogP3.74
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 53.74
H-Bond Donors ≤ 52
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-(hydroxymethyl)-4-[(3-methylphenyl)diazenyl]phenol
CID 136794286
2-(2-hydroxy-5-methylphenyl)acetic acid
CID 13360645
2-(hydroxymethyl)-4-[(4-methylphenyl)diazenyl]phenol
CID 136794284
4-[(3-ethyl-4-hydroxyphenyl)diazenyl]-2-methylphenol
CID 163811607
2-ethyl-4-[(4-methylphenyl)diazenyl]phenol;2-methylbutanoic acid
CID 136655699
isocyanic acid;(3-methylphenyl)-phenyldiazene
CID 88626155
4-methyl-2-[(4-phenyldiazenylphenyl)diazenyl]phenol
CID 3519903
2-(hydroxymethyl)-4-[(3-methoxyphenyl)diazenyl]phenol
CID 136794349
3-[(3,4-dihydroxyphenyl)diazenyl]benzoic acid
CID 135853153
2-[5-(3-methylphenyl)furan-2-yl]acetic acid
CID 35754290
N-[(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 2833192
2-ethylphenol;1,3-xylene
CID 174948528

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-5-[(3-methylphenyl)diazenyl]phenyl]acetic acid?
The IUPAC name of 2-[2-hydroxy-5-[(3-methylphenyl)diazenyl]phenyl]acetic acid (CID 135843564) is 2-[2-hydroxy-5-[(3-methylphenyl)diazenyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-hydroxy-5-[(3-methylphenyl)diazenyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-hydroxy-5-[(3-methylphenyl)diazenyl]phenyl]acetic acid is Cc1cccc(/N=N/c2ccc(O)c(CC(=O)O)c2)c1.
What is the InChIKey of 2-[2-hydroxy-5-[(3-methylphenyl)diazenyl]phenyl]acetic acid?
The InChIKey is TUFWGOUGYVCUSD-WUKNDPDISA-N. The full InChI is InChI=1S/C15H14N2O3/c1-10-3-2-4-12(7-10)16-17-13-5-6-14(18)11(8-13)9-15(19)20/h2-8,18H,9H2,1H3,(H,19,20)/b17-16+.
What are the key properties of 2-[2-hydroxy-5-[(3-methylphenyl)diazenyl]phenyl]acetic acid?
2-[2-hydroxy-5-[(3-methylphenyl)diazenyl]phenyl]acetic acid has a molecular weight of 270.29 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-5-[(3-methylphenyl)diazenyl]phenyl]acetic acid is sourced from PubChem (CID 135843564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).