2-[(4-hydroxy-2,3,5-trimethylphenyl)diazenyl]benzoic acid

C16H16N2O3 — CID 3440092

IUPAC2-[(4-hydroxy-2,3,5-trimethylphenyl)diazenyl]benzoic acid
SMILESCc1cc(/N=N/c2ccccc2C(=O)O)c(C)c(C)c1O
InChIInChI=1S/C16H16N2O3/c1-9-8-14(10(2)11(3)15(9)19)18-17-13-7-5-4-6-12(13)16(20)21/h4-8,19H,1-3H3,(H,20,21)/b18-17+
InChIKeyXVPOJLRWFQRPTI-ISLYRVAYSA-N
MW284.31 g/mol
LogP4.43
Rot. Bonds3

About 2-[(4-hydroxy-2,3,5-trimethylphenyl)diazenyl]benzoic acid

2-[(4-hydroxy-2,3,5-trimethylphenyl)diazenyl]benzoic acid (PubChem CID 3440092) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-[(4-hydroxy-2,3,5-trimethylphenyl)diazenyl]benzoic acid.

Molecular Properties

Compound Name2-[(4-hydroxy-2,3,5-trimethylphenyl)diazenyl]benzoic acid
PubChem CID3440092
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name2-[(4-hydroxy-2,3,5-trimethylphenyl)diazenyl]benzoic acid
SMILESCc1cc(/N=N/c2ccccc2C(=O)O)c(C)c(C)c1O
InChIInChI=1S/C16H16N2O3/c1-9-8-14(10(2)11(3)15(9)19)18-17-13-7-5-4-6-12(13)16(20)21/h4-8,19H,1-3H3,(H,20,21)/b18-17+
InChIKeyXVPOJLRWFQRPTI-ISLYRVAYSA-N
XLogP4.43
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 54.43
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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Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-2,3,5-trimethylphenyl)diazenyl]benzoic acid?
The IUPAC name of 2-[(4-hydroxy-2,3,5-trimethylphenyl)diazenyl]benzoic acid (CID 3440092) is 2-[(4-hydroxy-2,3,5-trimethylphenyl)diazenyl]benzoic acid.
What is the SMILES notation for 2-[(4-hydroxy-2,3,5-trimethylphenyl)diazenyl]benzoic acid?
The canonical SMILES for 2-[(4-hydroxy-2,3,5-trimethylphenyl)diazenyl]benzoic acid is Cc1cc(/N=N/c2ccccc2C(=O)O)c(C)c(C)c1O.
What is the InChIKey of 2-[(4-hydroxy-2,3,5-trimethylphenyl)diazenyl]benzoic acid?
The InChIKey is XVPOJLRWFQRPTI-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-9-8-14(10(2)11(3)15(9)19)18-17-13-7-5-4-6-12(13)16(20)21/h4-8,19H,1-3H3,(H,20,21)/b18-17+.
What are the key properties of 2-[(4-hydroxy-2,3,5-trimethylphenyl)diazenyl]benzoic acid?
2-[(4-hydroxy-2,3,5-trimethylphenyl)diazenyl]benzoic acid has a molecular weight of 284.31 g/mol, XLogP of 4.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-2,3,5-trimethylphenyl)diazenyl]benzoic acid is sourced from PubChem (CID 3440092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).