2-[(4-hydroxy-2-methyl-5-propan-2-ylphenyl)diazenyl]benzoic acid

C17H18N2O3 — CID 3345803

IUPAC2-[(4-hydroxy-2-methyl-5-propan-2-ylphenyl)diazenyl]benzoic acid
SMILESCc1cc(O)c(C(C)C)cc1/N=N/c1ccccc1C(=O)O
InChIInChI=1S/C17H18N2O3/c1-10(2)13-9-15(11(3)8-16(13)20)19-18-14-7-5-4-6-12(14)17(21)22/h4-10,20H,1-3H3,(H,21,22)/b19-18+
InChIKeyQLPGFQXQBRVVFO-VHEBQXMUSA-N
MW298.34 g/mol
LogP4.94
Rot. Bonds4

About 2-[(4-hydroxy-2-methyl-5-propan-2-ylphenyl)diazenyl]benzoic acid

2-[(4-hydroxy-2-methyl-5-propan-2-ylphenyl)diazenyl]benzoic acid (PubChem CID 3345803) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-[(4-hydroxy-2-methyl-5-propan-2-ylphenyl)diazenyl]benzoic acid.

Molecular Properties

Compound Name2-[(4-hydroxy-2-methyl-5-propan-2-ylphenyl)diazenyl]benzoic acid
PubChem CID3345803
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name2-[(4-hydroxy-2-methyl-5-propan-2-ylphenyl)diazenyl]benzoic acid
SMILESCc1cc(O)c(C(C)C)cc1/N=N/c1ccccc1C(=O)O
InChIInChI=1S/C17H18N2O3/c1-10(2)13-9-15(11(3)8-16(13)20)19-18-14-7-5-4-6-12(14)17(21)22/h4-10,20H,1-3H3,(H,21,22)/b19-18+
InChIKeyQLPGFQXQBRVVFO-VHEBQXMUSA-N
XLogP4.94
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 54.94
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-methyl-5-propan-2-ylphenyl)diazenyl]benzoic acid?
The IUPAC name of 2-[(4-hydroxy-2-methyl-5-propan-2-ylphenyl)diazenyl]benzoic acid (CID 3345803) is 2-[(4-hydroxy-2-methyl-5-propan-2-ylphenyl)diazenyl]benzoic acid.
What is the SMILES notation for 2-[(4-hydroxy-2-methyl-5-propan-2-ylphenyl)diazenyl]benzoic acid?
The canonical SMILES for 2-[(4-hydroxy-2-methyl-5-propan-2-ylphenyl)diazenyl]benzoic acid is Cc1cc(O)c(C(C)C)cc1/N=N/c1ccccc1C(=O)O.
What is the InChIKey of 2-[(4-hydroxy-2-methyl-5-propan-2-ylphenyl)diazenyl]benzoic acid?
The InChIKey is QLPGFQXQBRVVFO-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-10(2)13-9-15(11(3)8-16(13)20)19-18-14-7-5-4-6-12(14)17(21)22/h4-10,20H,1-3H3,(H,21,22)/b19-18+.
What are the key properties of 2-[(4-hydroxy-2-methyl-5-propan-2-ylphenyl)diazenyl]benzoic acid?
2-[(4-hydroxy-2-methyl-5-propan-2-ylphenyl)diazenyl]benzoic acid has a molecular weight of 298.34 g/mol, XLogP of 4.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-2-methyl-5-propan-2-ylphenyl)diazenyl]benzoic acid is sourced from PubChem (CID 3345803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).