3-[(4-hydroxy-3-phenylphenyl)diazenyl]benzoic acid

C19H14N2O3 — CID 136915987

IUPAC3-[(4-hydroxy-3-phenylphenyl)diazenyl]benzoic acid
SMILESO=C(O)c1cccc(/N=N/c2ccc(O)c(-c3ccccc3)c2)c1
InChIInChI=1S/C19H14N2O3/c22-18-10-9-16(12-17(18)13-5-2-1-3-6-13)21-20-15-8-4-7-14(11-15)19(23)24/h1-12,22H,(H,23,24)/b21-20+
InChIKeyGDAHKRVBHJXINS-QZQOTICOSA-N
MW318.33 g/mol
LogP5.17
Rot. Bonds4

About 3-[(4-hydroxy-3-phenylphenyl)diazenyl]benzoic acid

3-[(4-hydroxy-3-phenylphenyl)diazenyl]benzoic acid (PubChem CID 136915987) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is 3-[(4-hydroxy-3-phenylphenyl)diazenyl]benzoic acid.

Molecular Properties

Compound Name3-[(4-hydroxy-3-phenylphenyl)diazenyl]benzoic acid
PubChem CID136915987
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC Name3-[(4-hydroxy-3-phenylphenyl)diazenyl]benzoic acid
SMILESO=C(O)c1cccc(/N=N/c2ccc(O)c(-c3ccccc3)c2)c1
InChIInChI=1S/C19H14N2O3/c22-18-10-9-16(12-17(18)13-5-2-1-3-6-13)21-20-15-8-4-7-14(11-15)19(23)24/h1-12,22H,(H,23,24)/b21-20+
InChIKeyGDAHKRVBHJXINS-QZQOTICOSA-N
XLogP5.17
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.33
LogP ≤ 55.17
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

3-[(3,4-dihydroxyphenyl)diazenyl]benzoic acid
CID 135853153
3-phenyldiazenylbenzoic acid
CID 555783
3-(2-hydroxyphenyl)benzoic acid;hydrochloride
CID 174448662
3-(aminodiazenyl)benzoic acid
CID 147903566
4-[(3-hydroxyphenyl)diazenyl]benzoic acid
CID 101366550
4-phenyldiazenylbenzoic acid
CID 15276
disodium;3-[(3-carboxylatophenyl)diazenyl]benzoate
CID 101498255
3-[3-(3-carboxyphenyl)phenyl]benzoic acid
CID 12023925
3-[(4,6-diphenyl-2-sulfanylidene-5H-pyrimidin-5-yl)diazenyl]benzoic acid
CID 11603982
5-(3-carboxyphenyl)-2-hydroxybenzoic acid
CID 102139788
[3-[(4-methylphenyl)diazenyl]phenyl]-phenylmethanone
CID 134953272
3-[(3-carboxyphenyl)diazenyl]-2-hydroxy-1H-indole-5-carboxylic acid
CID 135924021

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxy-3-phenylphenyl)diazenyl]benzoic acid?
The IUPAC name of 3-[(4-hydroxy-3-phenylphenyl)diazenyl]benzoic acid (CID 136915987) is 3-[(4-hydroxy-3-phenylphenyl)diazenyl]benzoic acid.
What is the SMILES notation for 3-[(4-hydroxy-3-phenylphenyl)diazenyl]benzoic acid?
The canonical SMILES for 3-[(4-hydroxy-3-phenylphenyl)diazenyl]benzoic acid is O=C(O)c1cccc(/N=N/c2ccc(O)c(-c3ccccc3)c2)c1.
What is the InChIKey of 3-[(4-hydroxy-3-phenylphenyl)diazenyl]benzoic acid?
The InChIKey is GDAHKRVBHJXINS-QZQOTICOSA-N. The full InChI is InChI=1S/C19H14N2O3/c22-18-10-9-16(12-17(18)13-5-2-1-3-6-13)21-20-15-8-4-7-14(11-15)19(23)24/h1-12,22H,(H,23,24)/b21-20+.
What are the key properties of 3-[(4-hydroxy-3-phenylphenyl)diazenyl]benzoic acid?
3-[(4-hydroxy-3-phenylphenyl)diazenyl]benzoic acid has a molecular weight of 318.33 g/mol, XLogP of 5.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxy-3-phenylphenyl)diazenyl]benzoic acid is sourced from PubChem (CID 136915987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).