phenyl 4-[(4-pent-4-enoxyphenyl)diazenyl]benzoate

C24H22N2O3 — CID 132515552

IUPACphenyl 4-[(4-pent-4-enoxyphenyl)diazenyl]benzoate
SMILESC=CCCCOc1ccc(/N=N/c2ccc(C(=O)Oc3ccccc3)cc2)cc1
InChIInChI=1S/C24H22N2O3/c1-2-3-7-18-28-22-16-14-21(15-17-22)26-25-20-12-10-19(11-13-20)24(27)29-23-8-5-4-6-9-23/h2,4-6,8-17H,1,3,7,18H2/b26-25+
InChIKeyDDJBUSKQLHVQII-OCEACIFDSA-N
MW386.45 g/mol
LogP6.67
Rot. Bonds9

About phenyl 4-[(4-pent-4-enoxyphenyl)diazenyl]benzoate

phenyl 4-[(4-pent-4-enoxyphenyl)diazenyl]benzoate (PubChem CID 132515552) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is phenyl 4-[(4-pent-4-enoxyphenyl)diazenyl]benzoate.

Molecular Properties

Compound Namephenyl 4-[(4-pent-4-enoxyphenyl)diazenyl]benzoate
PubChem CID132515552
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Namephenyl 4-[(4-pent-4-enoxyphenyl)diazenyl]benzoate
SMILESC=CCCCOc1ccc(/N=N/c2ccc(C(=O)Oc3ccccc3)cc2)cc1
InChIInChI=1S/C24H22N2O3/c1-2-3-7-18-28-22-16-14-21(15-17-22)26-25-20-12-10-19(11-13-20)24(27)29-23-8-5-4-6-9-23/h2,4-6,8-17H,1,3,7,18H2/b26-25+
InChIKeyDDJBUSKQLHVQII-OCEACIFDSA-N
XLogP6.67
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze phenyl 4-[(4-pent-4-enoxyphenyl)diazenyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-hex-5-enoxyphenyl) 4-hex-5-enoxybenzoate
CID 86174635
4-[(4-hex-5-enoxyphenyl)diazenyl]benzoic acid
CID 102225423
phenyl 4-[5-(4-phenoxycarbonylphenoxy)pentoxy]benzoate
CID 134820825
ethyl 4-[(4-but-3-enoxyphenyl)diazenyl]benzoate
CID 165352761
[4-[(4-hexadecoxyphenyl)diazenyl]phenyl] benzoate
CID 122206762
[3-[4-(4-undec-10-enoxyphenyl)benzoyl]oxyphenyl] 4-(4-undec-10-enoxyphenyl)benzoate
CID 101351833
[3-[4-(4-dec-9-enoxyphenyl)benzoyl]oxyphenyl] 4-(4-dec-9-enoxyphenyl)benzoate
CID 101351837
(4-non-8-enoxyphenyl) 4-pentoxybenzoate
CID 54371747
(4-pentoxyphenyl) 4-undec-10-enoxybenzoate
CID 54431546
[4-[(4-octoxyphenyl)diazenyl]phenyl] 4-dodecoxybenzoate
CID 102441423
(4-prop-2-enoxyphenyl) 4-prop-2-enoxybenzoate
CID 70257888
ethane;hept-1-ene;(4-hexoxyphenyl) 4-heptoxybenzoate
CID 142615529

Frequently Asked Questions

What is the IUPAC name of phenyl 4-[(4-pent-4-enoxyphenyl)diazenyl]benzoate?
The IUPAC name of phenyl 4-[(4-pent-4-enoxyphenyl)diazenyl]benzoate (CID 132515552) is phenyl 4-[(4-pent-4-enoxyphenyl)diazenyl]benzoate.
What is the SMILES notation for phenyl 4-[(4-pent-4-enoxyphenyl)diazenyl]benzoate?
The canonical SMILES for phenyl 4-[(4-pent-4-enoxyphenyl)diazenyl]benzoate is C=CCCCOc1ccc(/N=N/c2ccc(C(=O)Oc3ccccc3)cc2)cc1.
What is the InChIKey of phenyl 4-[(4-pent-4-enoxyphenyl)diazenyl]benzoate?
The InChIKey is DDJBUSKQLHVQII-OCEACIFDSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-2-3-7-18-28-22-16-14-21(15-17-22)26-25-20-12-10-19(11-13-20)24(27)29-23-8-5-4-6-9-23/h2,4-6,8-17H,1,3,7,18H2/b26-25+.
What are the key properties of phenyl 4-[(4-pent-4-enoxyphenyl)diazenyl]benzoate?
phenyl 4-[(4-pent-4-enoxyphenyl)diazenyl]benzoate has a molecular weight of 386.45 g/mol, XLogP of 6.67, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-[(4-pent-4-enoxyphenyl)diazenyl]benzoate is sourced from PubChem (CID 132515552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).