[4-[(4-ethoxyphenyl)diazenyl]phenyl] nonanoate

C23H30N2O3 — CID 71364904

IUPAC[4-[(4-ethoxyphenyl)diazenyl]phenyl] nonanoate
SMILESCCCCCCCCC(=O)Oc1ccc(/N=N/c2ccc(OCC)cc2)cc1
InChIInChI=1S/C23H30N2O3/c1-3-5-6-7-8-9-10-23(26)28-22-17-13-20(14-18-22)25-24-19-11-15-21(16-12-19)27-4-2/h11-18H,3-10H2,1-2H3/b25-24+
InChIKeyTYQUYLTWSDGMLA-OCOZRVBESA-N
MW382.50 g/mol
LogP7.16
Rot. Bonds12

About [4-[(4-ethoxyphenyl)diazenyl]phenyl] nonanoate

[4-[(4-ethoxyphenyl)diazenyl]phenyl] nonanoate (PubChem CID 71364904) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is [4-[(4-ethoxyphenyl)diazenyl]phenyl] nonanoate.

Molecular Properties

Compound Name[4-[(4-ethoxyphenyl)diazenyl]phenyl] nonanoate
PubChem CID71364904
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name[4-[(4-ethoxyphenyl)diazenyl]phenyl] nonanoate
SMILESCCCCCCCCC(=O)Oc1ccc(/N=N/c2ccc(OCC)cc2)cc1
InChIInChI=1S/C23H30N2O3/c1-3-5-6-7-8-9-10-23(26)28-22-17-13-20(14-18-22)25-24-19-11-15-21(16-12-19)27-4-2/h11-18H,3-10H2,1-2H3/b25-24+
InChIKeyTYQUYLTWSDGMLA-OCOZRVBESA-N
XLogP7.16
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.50
LogP ≤ 57.16
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': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-[(4-ethoxyphenyl)diazenyl]phenyl] nonanoate 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-[(4-ethoxyphenyl)diazenyl]phenyl] tetradecanoate
CID 71414309
bis[4-[(4-decoxyphenyl)diazenyl]phenyl] tridecanedioate
CID 132525733
[4-[(4-acetylphenyl)diazenyl]phenyl] octanoate
CID 71374793
[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl] octanoate
CID 102169469
[4-[(2-fluorophenyl)diazenyl]phenyl] octadecanoate
CID 101384376
[4-[(4-butoxyphenyl)diazenyl]phenyl] 3-bromopropanoate
CID 71443458
[7-oxo-4-[(4-pentoxyphenyl)diazenyl]cyclohepta-1,3,5-trien-1-yl] decanoate
CID 101221648
(4-isothiocyanatophenyl) nonanoate
CID 175120906
[4-[4-[5-[4-[(4-butylphenyl)diazenyl]phenoxy]pentanoyloxy]phenyl]phenyl] 5-[4-[(4-butylphenyl)diazenyl]phenoxy]pentanoate
CID 132609961
[4-(4-octanoyloxyphenyl)phenyl] octanoate
CID 100963923
[4-(4-heptanoyloxyphenyl)phenyl] heptanoate
CID 100963922
[4-[(4-heptoxyphenyl)diazenyl]phenyl] 6-[(3-methyloxetan-3-yl)methoxy]hexanoate
CID 101089381

Frequently Asked Questions

What is the IUPAC name of [4-[(4-ethoxyphenyl)diazenyl]phenyl] nonanoate?
The IUPAC name of [4-[(4-ethoxyphenyl)diazenyl]phenyl] nonanoate (CID 71364904) is [4-[(4-ethoxyphenyl)diazenyl]phenyl] nonanoate.
What is the SMILES notation for [4-[(4-ethoxyphenyl)diazenyl]phenyl] nonanoate?
The canonical SMILES for [4-[(4-ethoxyphenyl)diazenyl]phenyl] nonanoate is CCCCCCCCC(=O)Oc1ccc(/N=N/c2ccc(OCC)cc2)cc1.
What is the InChIKey of [4-[(4-ethoxyphenyl)diazenyl]phenyl] nonanoate?
The InChIKey is TYQUYLTWSDGMLA-OCOZRVBESA-N. The full InChI is InChI=1S/C23H30N2O3/c1-3-5-6-7-8-9-10-23(26)28-22-17-13-20(14-18-22)25-24-19-11-15-21(16-12-19)27-4-2/h11-18H,3-10H2,1-2H3/b25-24+.
What are the key properties of [4-[(4-ethoxyphenyl)diazenyl]phenyl] nonanoate?
[4-[(4-ethoxyphenyl)diazenyl]phenyl] nonanoate has a molecular weight of 382.50 g/mol, XLogP of 7.16, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-ethoxyphenyl)diazenyl]phenyl] nonanoate is sourced from PubChem (CID 71364904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).