3-[4-[[4-[[4-(2-prop-2-enoyloxyethyl)phenyl]diazenyl]phenyl]diazenyl]phenoxy]propyl prop-2-enoate

C29H28N4O5 — CID 122548317

IUPAC3-[4-[[4-[[4-(2-prop-2-enoyloxyethyl)phenyl]diazenyl]phenyl]diazenyl]phenoxy]propyl prop-2-enoate
SMILESC=CC(=O)OCCCOc1ccc(/N=N/c2ccc(/N=N/c3ccc(CCOC(=O)C=C)cc3)cc2)cc1
InChIInChI=1S/C29H28N4O5/c1-3-28(34)37-20-5-19-36-27-16-14-26(15-17-27)33-32-25-12-10-24(11-13-25)31-30-23-8-6-22(7-9-23)18-21-38-29(35)4-2/h3-4,6-17H,1-2,5,18-21H2/b31-30+,33-32+
InChIKeyONNKOSQJXFXTFO-CJQWSLHQSA-N
MW512.57 g/mol
LogP7.29
Rot. Bonds14

About 3-[4-[[4-[[4-(2-prop-2-enoyloxyethyl)phenyl]diazenyl]phenyl]diazenyl]phenoxy]propyl prop-2-enoate

3-[4-[[4-[[4-(2-prop-2-enoyloxyethyl)phenyl]diazenyl]phenyl]diazenyl]phenoxy]propyl prop-2-enoate (PubChem CID 122548317) has the molecular formula C29H28N4O5 and a molecular weight of 512.57 g/mol. Its IUPAC name is 3-[4-[[4-[[4-(2-prop-2-enoyloxyethyl)phenyl]diazenyl]phenyl]diazenyl]phenoxy]propyl prop-2-enoate.

Molecular Properties

Compound Name3-[4-[[4-[[4-(2-prop-2-enoyloxyethyl)phenyl]diazenyl]phenyl]diazenyl]phenoxy]propyl prop-2-enoate
PubChem CID122548317
Molecular FormulaC29H28N4O5
Molecular Weight512.57 g/mol
Exact Mass512.21
IUPAC Name3-[4-[[4-[[4-(2-prop-2-enoyloxyethyl)phenyl]diazenyl]phenyl]diazenyl]phenoxy]propyl prop-2-enoate
SMILESC=CC(=O)OCCCOc1ccc(/N=N/c2ccc(/N=N/c3ccc(CCOC(=O)C=C)cc3)cc2)cc1
InChIInChI=1S/C29H28N4O5/c1-3-28(34)37-20-5-19-36-27-16-14-26(15-17-27)33-32-25-12-10-24(11-13-25)31-30-23-8-6-22(7-9-23)18-21-38-29(35)4-2/h3-4,6-17H,1-2,5,18-21H2/b31-30+,33-32+
InChIKeyONNKOSQJXFXTFO-CJQWSLHQSA-N
XLogP7.29
TPSA111.27 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.57
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[4-[[4-[[4-(2-prop-2-enoyloxyethyl)phenyl]diazenyl]phenyl]diazenyl]phenoxy]propyl prop-2-enoate 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

6-[4-[[4-(6-hydroxyhexoxy)phenyl]diazenyl]phenoxy]hexyl prop-2-enoate
CID 101498124
3-[4-[4-[4-(3-prop-2-enoyloxypropoxy)phenyl]phenyl]phenoxy]propyl prop-2-enoate
CID 158971258
methyl 4-[[4-(8-prop-2-enoyloxyoctoxy)phenyl]diazenyl]benzoate
CID 20615391
6-[4-[[4-[2-[4-(10-oxododec-11-enoxy)phenyl]ethenyl]phenyl]diazenyl]phenoxy]hexyl prop-2-enoate
CID 140930643
4-[4-[[3-(hydroxymethyl)-4-[[3-(hydroxymethyl)-4-[[4-(4-prop-2-enoyloxybutoxy)phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenoxy]butyl prop-2-enoate
CID 156628743
2-[4-[(E)-2-[4-(4-butoxyphenyl)phenyl]ethenyl]phenyl]ethyl prop-2-enoate
CID 130373833
2-[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]ethyl prop-2-enoate
CID 58556788
4-(4-hydroxyphenoxy)butyl prop-2-enoate
CID 20566713
[4-[2-methyl-4-[[4-(2-prop-2-enoyloxyethyl)phenyl]diazenyl]phenoxy]carbonylphenyl] 4-[10-(2-methylbutanoyloxy)decoxy]benzoate
CID 153445037
3-[4-(4-hydroxyphenyl)phenoxy]propyl prop-2-enoate
CID 144554090
6-[4-[[4-[[4-(6-hydroxyhexoxy)phenyl]methyl]phenyl]methyl]phenoxy]hexan-1-ol;6-[4-[[4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]methyl]phenyl]methyl]phenoxy]hexyl prop-2-enoate
CID 91409634
[4-[4-[4-(2-prop-2-enoyloxyethoxy)benzoyl]oxybenzoyl]oxyphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate
CID 118547325

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[4-[[4-(2-prop-2-enoyloxyethyl)phenyl]diazenyl]phenyl]diazenyl]phenoxy]propyl prop-2-enoate?
The IUPAC name of 3-[4-[[4-[[4-(2-prop-2-enoyloxyethyl)phenyl]diazenyl]phenyl]diazenyl]phenoxy]propyl prop-2-enoate (CID 122548317) is 3-[4-[[4-[[4-(2-prop-2-enoyloxyethyl)phenyl]diazenyl]phenyl]diazenyl]phenoxy]propyl prop-2-enoate.
What is the SMILES notation for 3-[4-[[4-[[4-(2-prop-2-enoyloxyethyl)phenyl]diazenyl]phenyl]diazenyl]phenoxy]propyl prop-2-enoate?
The canonical SMILES for 3-[4-[[4-[[4-(2-prop-2-enoyloxyethyl)phenyl]diazenyl]phenyl]diazenyl]phenoxy]propyl prop-2-enoate is C=CC(=O)OCCCOc1ccc(/N=N/c2ccc(/N=N/c3ccc(CCOC(=O)C=C)cc3)cc2)cc1.
What is the InChIKey of 3-[4-[[4-[[4-(2-prop-2-enoyloxyethyl)phenyl]diazenyl]phenyl]diazenyl]phenoxy]propyl prop-2-enoate?
The InChIKey is ONNKOSQJXFXTFO-CJQWSLHQSA-N. The full InChI is InChI=1S/C29H28N4O5/c1-3-28(34)37-20-5-19-36-27-16-14-26(15-17-27)33-32-25-12-10-24(11-13-25)31-30-23-8-6-22(7-9-23)18-21-38-29(35)4-2/h3-4,6-17H,1-2,5,18-21H2/b31-30+,33-32+.
What are the key properties of 3-[4-[[4-[[4-(2-prop-2-enoyloxyethyl)phenyl]diazenyl]phenyl]diazenyl]phenoxy]propyl prop-2-enoate?
3-[4-[[4-[[4-(2-prop-2-enoyloxyethyl)phenyl]diazenyl]phenyl]diazenyl]phenoxy]propyl prop-2-enoate has a molecular weight of 512.57 g/mol, XLogP of 7.29, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-[[4-(2-prop-2-enoyloxyethyl)phenyl]diazenyl]phenyl]diazenyl]phenoxy]propyl prop-2-enoate is sourced from PubChem (CID 122548317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).