4-[(4-hex-5-enoxyphenyl)diazenyl]benzoic acid

C19H20N2O3 — CID 102225423

IUPAC4-[(4-hex-5-enoxyphenyl)diazenyl]benzoic acid
SMILESC=CCCCCOc1ccc(/N=N/c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C19H20N2O3/c1-2-3-4-5-14-24-18-12-10-17(11-13-18)21-20-16-8-6-15(7-9-16)19(22)23/h2,6-13H,1,3-5,14H2,(H,22,23)/b21-20+
InChIKeyBVBKISCQQLQNJY-QZQOTICOSA-N
MW324.38 g/mol
LogP5.54
Rot. Bonds9

About 4-[(4-hex-5-enoxyphenyl)diazenyl]benzoic acid

4-[(4-hex-5-enoxyphenyl)diazenyl]benzoic acid (PubChem CID 102225423) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-[(4-hex-5-enoxyphenyl)diazenyl]benzoic acid.

Molecular Properties

Compound Name4-[(4-hex-5-enoxyphenyl)diazenyl]benzoic acid
PubChem CID102225423
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name4-[(4-hex-5-enoxyphenyl)diazenyl]benzoic acid
SMILESC=CCCCCOc1ccc(/N=N/c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C19H20N2O3/c1-2-3-4-5-14-24-18-12-10-17(11-13-18)21-20-16-8-6-15(7-9-16)19(22)23/h2,6-13H,1,3-5,14H2,(H,22,23)/b21-20+
InChIKeyBVBKISCQQLQNJY-QZQOTICOSA-N
XLogP5.54
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.38
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-pent-4-enoxyphenyl)benzoic acid
CID 19419405
phenyl 4-[(4-pent-4-enoxyphenyl)diazenyl]benzoate
CID 132515552
4-[[4-(8-carboxynon-7-enoxy)phenyl]diazenyl]benzoic acid
CID 173048561
4-(8-but-3-enoxyoctoxy)benzoic acid
CID 19797910
4-undec-10-enoxybenzoate
CID 7009276
(4-hex-5-enoxyphenyl) 4-hex-5-enoxybenzoate
CID 86174635
4-(16-oxohexadecoxy)benzoic acid
CID 87286293
2-[(4-hex-5-enoxyphenyl)diazenyl]ethanol
CID 100978010
benzene;4-prop-2-enoxybenzoic acid
CID 174857047
ethyl 4-[(4-but-3-enoxyphenyl)diazenyl]benzoate
CID 165352761
4-(4-hydroxybutoxy)benzoic acid
CID 15218596
4-(10-prop-2-enoyloxydecoxy)benzoic acid
CID 18942550

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hex-5-enoxyphenyl)diazenyl]benzoic acid?
The IUPAC name of 4-[(4-hex-5-enoxyphenyl)diazenyl]benzoic acid (CID 102225423) is 4-[(4-hex-5-enoxyphenyl)diazenyl]benzoic acid.
What is the SMILES notation for 4-[(4-hex-5-enoxyphenyl)diazenyl]benzoic acid?
The canonical SMILES for 4-[(4-hex-5-enoxyphenyl)diazenyl]benzoic acid is C=CCCCCOc1ccc(/N=N/c2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[(4-hex-5-enoxyphenyl)diazenyl]benzoic acid?
The InChIKey is BVBKISCQQLQNJY-QZQOTICOSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-2-3-4-5-14-24-18-12-10-17(11-13-18)21-20-16-8-6-15(7-9-16)19(22)23/h2,6-13H,1,3-5,14H2,(H,22,23)/b21-20+.
What are the key properties of 4-[(4-hex-5-enoxyphenyl)diazenyl]benzoic acid?
4-[(4-hex-5-enoxyphenyl)diazenyl]benzoic acid has a molecular weight of 324.38 g/mol, XLogP of 5.54, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hex-5-enoxyphenyl)diazenyl]benzoic acid is sourced from PubChem (CID 102225423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).