(3-chloro-4-decoxyphenyl)-phenyldiazene

C22H29ClN2O — CID 101410584

IUPAC(3-chloro-4-decoxyphenyl)-phenyldiazene
SMILESCCCCCCCCCCOc1ccc(/N=N/c2ccccc2)cc1Cl
InChIInChI=1S/C22H29ClN2O/c1-2-3-4-5-6-7-8-12-17-26-22-16-15-20(18-21(22)23)25-24-19-13-10-9-11-14-19/h9-11,13-16,18H,2-8,12,17H2,1H3/b25-24+
InChIKeyWYOYYGXWOFZWNZ-OCOZRVBESA-N
MW372.94 g/mol
LogP8.27
Rot. Bonds12

About (3-chloro-4-decoxyphenyl)-phenyldiazene

(3-chloro-4-decoxyphenyl)-phenyldiazene (PubChem CID 101410584) has the molecular formula C22H29ClN2O and a molecular weight of 372.94 g/mol. Its IUPAC name is (3-chloro-4-decoxyphenyl)-phenyldiazene.

Molecular Properties

Compound Name(3-chloro-4-decoxyphenyl)-phenyldiazene
PubChem CID101410584
Molecular FormulaC22H29ClN2O
Molecular Weight372.94 g/mol
Exact Mass372.20
IUPAC Name(3-chloro-4-decoxyphenyl)-phenyldiazene
SMILESCCCCCCCCCCOc1ccc(/N=N/c2ccccc2)cc1Cl
InChIInChI=1S/C22H29ClN2O/c1-2-3-4-5-6-7-8-12-17-26-22-16-15-20(18-21(22)23)25-24-19-13-10-9-11-14-19/h9-11,13-16,18H,2-8,12,17H2,1H3/b25-24+
InChIKeyWYOYYGXWOFZWNZ-OCOZRVBESA-N
XLogP8.27
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.94
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

Analyze (3-chloro-4-decoxyphenyl)-phenyldiazene 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

phenyl-(4-undecoxyphenyl)diazene
CID 162717560
4-[(3,4-dioctoxyphenyl)diazenyl]benzoic acid
CID 132583239
3-chloro-4-nonoxyaniline
CID 43129005
3-chloro-4-dodecoxybenzoic acid;hydrochloride
CID 67895180
(3-chloro-4-nonoxyphenyl)methanol
CID 63533386
(3-chloro-4-nonoxyphenyl)methanamine
CID 63404558
(3-butyl-4-ethoxyphenyl)-phenyldiazene
CID 20571993
1,2,4-trichloro-5-undecoxybenzene
CID 518118
bis(4-heptoxyphenyl)diazene
CID 13087198
3-chloro-4-pentoxyaniline;hydrochloride
CID 134110655
(4-chlorophenyl)-(4-hexadecoxyphenyl)diazene
CID 102454986
(2-methyl-4-phenyldiazenylphenyl) 4-octoxybenzoate
CID 102265286

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-decoxyphenyl)-phenyldiazene?
The IUPAC name of (3-chloro-4-decoxyphenyl)-phenyldiazene (CID 101410584) is (3-chloro-4-decoxyphenyl)-phenyldiazene.
What is the SMILES notation for (3-chloro-4-decoxyphenyl)-phenyldiazene?
The canonical SMILES for (3-chloro-4-decoxyphenyl)-phenyldiazene is CCCCCCCCCCOc1ccc(/N=N/c2ccccc2)cc1Cl.
What is the InChIKey of (3-chloro-4-decoxyphenyl)-phenyldiazene?
The InChIKey is WYOYYGXWOFZWNZ-OCOZRVBESA-N. The full InChI is InChI=1S/C22H29ClN2O/c1-2-3-4-5-6-7-8-12-17-26-22-16-15-20(18-21(22)23)25-24-19-13-10-9-11-14-19/h9-11,13-16,18H,2-8,12,17H2,1H3/b25-24+.
What are the key properties of (3-chloro-4-decoxyphenyl)-phenyldiazene?
(3-chloro-4-decoxyphenyl)-phenyldiazene has a molecular weight of 372.94 g/mol, XLogP of 8.27, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-decoxyphenyl)-phenyldiazene is sourced from PubChem (CID 101410584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).