[4-[(4-hydroxy-3-propylphenyl)diazenyl]phenyl]arsonic acid

C15H17AsN2O4 — CID 136714714

IUPAC[4-[(4-hydroxy-3-propylphenyl)diazenyl]phenyl]arsonic acid
SMILESCCCc1cc(/N=N/c2ccc([As](=O)(O)O)cc2)ccc1O
InChIInChI=1S/C15H17AsN2O4/c1-2-3-11-10-14(8-9-15(11)19)18-17-13-6-4-12(5-7-13)16(20,21)22/h4-10,19H,2-3H2,1H3,(H2,20,21,22)/b18-17+
InChIKeyQVABVMGVTKODPJ-ISLYRVAYSA-N
MW364.23 g/mol
LogP2.32
Rot. Bonds5

About [4-[(4-hydroxy-3-propylphenyl)diazenyl]phenyl]arsonic acid

[4-[(4-hydroxy-3-propylphenyl)diazenyl]phenyl]arsonic acid (PubChem CID 136714714) has the molecular formula C15H17AsN2O4 and a molecular weight of 364.23 g/mol. Its IUPAC name is [4-[(4-hydroxy-3-propylphenyl)diazenyl]phenyl]arsonic acid.

Molecular Properties

Compound Name[4-[(4-hydroxy-3-propylphenyl)diazenyl]phenyl]arsonic acid
PubChem CID136714714
Molecular FormulaC15H17AsN2O4
Molecular Weight364.23 g/mol
Exact Mass364.04
IUPAC Name[4-[(4-hydroxy-3-propylphenyl)diazenyl]phenyl]arsonic acid
SMILESCCCc1cc(/N=N/c2ccc([As](=O)(O)O)cc2)ccc1O
InChIInChI=1S/C15H17AsN2O4/c1-2-3-11-10-14(8-9-15(11)19)18-17-13-6-4-12(5-7-13)16(20,21)22/h4-10,19H,2-3H2,1H3,(H2,20,21,22)/b18-17+
InChIKeyQVABVMGVTKODPJ-ISLYRVAYSA-N
XLogP2.32
TPSA102.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-hydroxy-3-propylphenyl)diazenyl]phenyl]arsonic acid?
The IUPAC name of [4-[(4-hydroxy-3-propylphenyl)diazenyl]phenyl]arsonic acid (CID 136714714) is [4-[(4-hydroxy-3-propylphenyl)diazenyl]phenyl]arsonic acid.
What is the SMILES notation for [4-[(4-hydroxy-3-propylphenyl)diazenyl]phenyl]arsonic acid?
The canonical SMILES for [4-[(4-hydroxy-3-propylphenyl)diazenyl]phenyl]arsonic acid is CCCc1cc(/N=N/c2ccc([As](=O)(O)O)cc2)ccc1O.
What is the InChIKey of [4-[(4-hydroxy-3-propylphenyl)diazenyl]phenyl]arsonic acid?
The InChIKey is QVABVMGVTKODPJ-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H17AsN2O4/c1-2-3-11-10-14(8-9-15(11)19)18-17-13-6-4-12(5-7-13)16(20,21)22/h4-10,19H,2-3H2,1H3,(H2,20,21,22)/b18-17+.
What are the key properties of [4-[(4-hydroxy-3-propylphenyl)diazenyl]phenyl]arsonic acid?
[4-[(4-hydroxy-3-propylphenyl)diazenyl]phenyl]arsonic acid has a molecular weight of 364.23 g/mol, XLogP of 2.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-hydroxy-3-propylphenyl)diazenyl]phenyl]arsonic acid is sourced from PubChem (CID 136714714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).