3-[(2-cyclohexylphenyl)diazenyl]benzoic acid

C19H20N2O2 — CID 146510600

IUPAC3-[(2-cyclohexylphenyl)diazenyl]benzoic acid
SMILESO=C(O)c1cccc(/N=N/c2ccccc2C2CCCCC2)c1
InChIInChI=1S/C19H20N2O2/c22-19(23)15-9-6-10-16(13-15)20-21-18-12-5-4-11-17(18)14-7-2-1-3-8-14/h4-6,9-14H,1-3,7-8H2,(H,22,23)/b21-20+
InChIKeyQCSYHIQNPVIQBY-QZQOTICOSA-N
MW308.38 g/mol
LogP5.85
Rot. Bonds4

About 3-[(2-cyclohexylphenyl)diazenyl]benzoic acid

3-[(2-cyclohexylphenyl)diazenyl]benzoic acid (PubChem CID 146510600) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-[(2-cyclohexylphenyl)diazenyl]benzoic acid.

Molecular Properties

Compound Name3-[(2-cyclohexylphenyl)diazenyl]benzoic acid
PubChem CID146510600
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name3-[(2-cyclohexylphenyl)diazenyl]benzoic acid
SMILESO=C(O)c1cccc(/N=N/c2ccccc2C2CCCCC2)c1
InChIInChI=1S/C19H20N2O2/c22-19(23)15-9-6-10-16(13-15)20-21-18-12-5-4-11-17(18)14-7-2-1-3-8-14/h4-6,9-14H,1-3,7-8H2,(H,22,23)/b21-20+
InChIKeyQCSYHIQNPVIQBY-QZQOTICOSA-N
XLogP5.85
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.38
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-[(2-cyclohexylphenyl)diazenyl]benzoic acid?
The IUPAC name of 3-[(2-cyclohexylphenyl)diazenyl]benzoic acid (CID 146510600) is 3-[(2-cyclohexylphenyl)diazenyl]benzoic acid.
What is the SMILES notation for 3-[(2-cyclohexylphenyl)diazenyl]benzoic acid?
The canonical SMILES for 3-[(2-cyclohexylphenyl)diazenyl]benzoic acid is O=C(O)c1cccc(/N=N/c2ccccc2C2CCCCC2)c1.
What is the InChIKey of 3-[(2-cyclohexylphenyl)diazenyl]benzoic acid?
The InChIKey is QCSYHIQNPVIQBY-QZQOTICOSA-N. The full InChI is InChI=1S/C19H20N2O2/c22-19(23)15-9-6-10-16(13-15)20-21-18-12-5-4-11-17(18)14-7-2-1-3-8-14/h4-6,9-14H,1-3,7-8H2,(H,22,23)/b21-20+.
What are the key properties of 3-[(2-cyclohexylphenyl)diazenyl]benzoic acid?
3-[(2-cyclohexylphenyl)diazenyl]benzoic acid has a molecular weight of 308.38 g/mol, XLogP of 5.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclohexylphenyl)diazenyl]benzoic acid is sourced from PubChem (CID 146510600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).