2-[4-[(5-benzoyl-2-ethoxy-4-hydroxyphenyl)diazenyl]phenyl]ethyl prop-2-enoate

C26H24N2O5 — CID 137132941

IUPAC2-[4-[(5-benzoyl-2-ethoxy-4-hydroxyphenyl)diazenyl]phenyl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCc1ccc(/N=N/c2cc(C(=O)c3ccccc3)c(O)cc2OCC)cc1
InChIInChI=1S/C26H24N2O5/c1-3-25(30)33-15-14-18-10-12-20(13-11-18)27-28-22-16-21(23(29)17-24(22)32-4-2)26(31)19-8-6-5-7-9-19/h3,5-13,16-17,29H,1,4,14-15H2,2H3/b28-27+
InChIKeyRCTFPRVNNGEWFO-BYYHNAKLSA-N
MW444.49 g/mol
LogP5.71
Rot. Bonds10

About 2-[4-[(5-benzoyl-2-ethoxy-4-hydroxyphenyl)diazenyl]phenyl]ethyl prop-2-enoate

2-[4-[(5-benzoyl-2-ethoxy-4-hydroxyphenyl)diazenyl]phenyl]ethyl prop-2-enoate (PubChem CID 137132941) has the molecular formula C26H24N2O5 and a molecular weight of 444.49 g/mol. Its IUPAC name is 2-[4-[(5-benzoyl-2-ethoxy-4-hydroxyphenyl)diazenyl]phenyl]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[4-[(5-benzoyl-2-ethoxy-4-hydroxyphenyl)diazenyl]phenyl]ethyl prop-2-enoate
PubChem CID137132941
Molecular FormulaC26H24N2O5
Molecular Weight444.49 g/mol
Exact Mass444.17
IUPAC Name2-[4-[(5-benzoyl-2-ethoxy-4-hydroxyphenyl)diazenyl]phenyl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCc1ccc(/N=N/c2cc(C(=O)c3ccccc3)c(O)cc2OCC)cc1
InChIInChI=1S/C26H24N2O5/c1-3-25(30)33-15-14-18-10-12-20(13-11-18)27-28-22-16-21(23(29)17-24(22)32-4-2)26(31)19-8-6-5-7-9-19/h3,5-13,16-17,29H,1,4,14-15H2,2H3/b28-27+
InChIKeyRCTFPRVNNGEWFO-BYYHNAKLSA-N
XLogP5.71
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.49
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(5-benzoyl-2-ethoxy-4-hydroxyphenyl)diazenyl]phenyl]ethyl 2-methylpropanoate
CID 144837612
N-[2-[4-[(5-benzoyl-2-ethoxy-4-hydroxyphenyl)diazenyl]phenyl]ethyl]-2-methylprop-2-enamide
CID 136646297
N-[[4-[(5-benzoyl-4-hydroxy-2-methoxyphenyl)diazenyl]phenyl]methyl]prop-2-enamide
CID 136646298
(5-amino-4-ethoxy-2-hydroxyphenyl)-phenylmethanone;N-[2-(4-aminophenyl)ethyl]prop-2-enamide
CID 144837585
sodium;N-[2-[4-[(5-benzoyl-2-ethoxy-4-hydroxyphenyl)diazenyl]phenyl]ethyl]-2-methylprop-2-enamide;tert-butyl 2-[4-[2-(2-methylprop-2-enoylamino)ethyl]phenyl]acetate;(4-ethoxy-2-hydroxyphenyl)-phenylmethanone;methane;nitrite;hydrochloride
CID 161447897
[5-[(5-benzoyl-2-ethoxy-4-hydroxyphenyl)methyl]-4-ethoxy-2-hydroxyphenyl]-phenylmethanone
CID 22643675
2-(4-benzoyl-2,3-dihydroxyphenoxy)ethyl prop-2-enoate
CID 141065793
2-[3-[(3-benzoyl-2,6-dihydroxyphenyl)diazenyl]-2-methylphenyl]ethyl prop-2-enoate
CID 141455331
2-(4-benzylphenyl)ethyl prop-2-enoate
CID 18316835
3-[4-[[4-[[4-(2-prop-2-enoyloxyethyl)phenyl]diazenyl]phenyl]diazenyl]phenoxy]propyl prop-2-enoate
CID 122548317
(2-hydroxy-4-methyl-5-phenyldiazenylphenyl)-phenylmethanone
CID 3578467
3-[3-[(3-benzoyl-2,6-dihydroxyphenyl)diazenyl]-2-methylphenyl]propyl prop-2-enoate
CID 141455343

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-benzoyl-2-ethoxy-4-hydroxyphenyl)diazenyl]phenyl]ethyl prop-2-enoate?
The IUPAC name of 2-[4-[(5-benzoyl-2-ethoxy-4-hydroxyphenyl)diazenyl]phenyl]ethyl prop-2-enoate (CID 137132941) is 2-[4-[(5-benzoyl-2-ethoxy-4-hydroxyphenyl)diazenyl]phenyl]ethyl prop-2-enoate.
What is the SMILES notation for 2-[4-[(5-benzoyl-2-ethoxy-4-hydroxyphenyl)diazenyl]phenyl]ethyl prop-2-enoate?
The canonical SMILES for 2-[4-[(5-benzoyl-2-ethoxy-4-hydroxyphenyl)diazenyl]phenyl]ethyl prop-2-enoate is C=CC(=O)OCCc1ccc(/N=N/c2cc(C(=O)c3ccccc3)c(O)cc2OCC)cc1.
What is the InChIKey of 2-[4-[(5-benzoyl-2-ethoxy-4-hydroxyphenyl)diazenyl]phenyl]ethyl prop-2-enoate?
The InChIKey is RCTFPRVNNGEWFO-BYYHNAKLSA-N. The full InChI is InChI=1S/C26H24N2O5/c1-3-25(30)33-15-14-18-10-12-20(13-11-18)27-28-22-16-21(23(29)17-24(22)32-4-2)26(31)19-8-6-5-7-9-19/h3,5-13,16-17,29H,1,4,14-15H2,2H3/b28-27+.
What are the key properties of 2-[4-[(5-benzoyl-2-ethoxy-4-hydroxyphenyl)diazenyl]phenyl]ethyl prop-2-enoate?
2-[4-[(5-benzoyl-2-ethoxy-4-hydroxyphenyl)diazenyl]phenyl]ethyl prop-2-enoate has a molecular weight of 444.49 g/mol, XLogP of 5.71, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-benzoyl-2-ethoxy-4-hydroxyphenyl)diazenyl]phenyl]ethyl prop-2-enoate is sourced from PubChem (CID 137132941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).