(4-methylphenyl)-(3,4,5-trimethoxyphenyl)diazene

C16H18N2O3 — CID 18739111

IUPAC(4-methylphenyl)-(3,4,5-trimethoxyphenyl)diazene
SMILESCOc1cc(/N=N/c2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C16H18N2O3/c1-11-5-7-12(8-6-11)17-18-13-9-14(19-2)16(21-4)15(10-13)20-3/h5-10H,1-4H3/b18-17+
InChIKeyHPNGUIZXZHEIMW-ISLYRVAYSA-N
MW286.33 g/mol
LogP4.44
Rot. Bonds5

About (4-methylphenyl)-(3,4,5-trimethoxyphenyl)diazene

(4-methylphenyl)-(3,4,5-trimethoxyphenyl)diazene (PubChem CID 18739111) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is (4-methylphenyl)-(3,4,5-trimethoxyphenyl)diazene.

Molecular Properties

Compound Name(4-methylphenyl)-(3,4,5-trimethoxyphenyl)diazene
PubChem CID18739111
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name(4-methylphenyl)-(3,4,5-trimethoxyphenyl)diazene
SMILESCOc1cc(/N=N/c2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C16H18N2O3/c1-11-5-7-12(8-6-11)17-18-13-9-14(19-2)16(21-4)15(10-13)20-3/h5-10H,1-4H3/b18-17+
InChIKeyHPNGUIZXZHEIMW-ISLYRVAYSA-N
XLogP4.44
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3-fluoro-4-methoxyphenyl)-(3,4,5-trimethoxyphenyl)diazene
CID 118484582
bis(4-methylphenyl)diazene
CID 10389
(6-methoxy-1-oxidopyridin-1-ium-3-yl)-(3,4,5-trimethoxyphenyl)diazene
CID 118484581
3-methoxy-4-[(3,4,5-trimethoxyphenyl)diazenyl]phenol
CID 136991159
(2,5-dimethoxy-4-propan-2-ylphenyl)-(4-methylphenyl)diazene
CID 59237990
(2-methoxy-4-methylphenyl)-[4-[(2-methoxyphenyl)diazenyl]phenyl]diazene
CID 156523555
(2-butoxy-4-methoxy-3-methylphenyl)-(3,4,5-trimethoxyphenyl)diazene
CID 126610805
4-methyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]aniline
CID 6258839
2-(4-methylphenyl)acetaldehyde;1,2,3-trimethoxy-5-methylbenzene
CID 174802138
(4-methylphenyl)-[(3,4,5-trimethoxyphenyl)methyl]azanium
CID 91929332
2-(3,4,5-trimethoxyphenyl)guanidine
CID 10198427
3,4,5-trimethoxy-N-(4-phenyldiazenylphenyl)benzamide
CID 3504342

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(3,4,5-trimethoxyphenyl)diazene?
The IUPAC name of (4-methylphenyl)-(3,4,5-trimethoxyphenyl)diazene (CID 18739111) is (4-methylphenyl)-(3,4,5-trimethoxyphenyl)diazene.
What is the SMILES notation for (4-methylphenyl)-(3,4,5-trimethoxyphenyl)diazene?
The canonical SMILES for (4-methylphenyl)-(3,4,5-trimethoxyphenyl)diazene is COc1cc(/N=N/c2ccc(C)cc2)cc(OC)c1OC.
What is the InChIKey of (4-methylphenyl)-(3,4,5-trimethoxyphenyl)diazene?
The InChIKey is HPNGUIZXZHEIMW-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11-5-7-12(8-6-11)17-18-13-9-14(19-2)16(21-4)15(10-13)20-3/h5-10H,1-4H3/b18-17+.
What are the key properties of (4-methylphenyl)-(3,4,5-trimethoxyphenyl)diazene?
(4-methylphenyl)-(3,4,5-trimethoxyphenyl)diazene has a molecular weight of 286.33 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(3,4,5-trimethoxyphenyl)diazene is sourced from PubChem (CID 18739111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).