(2-ethylphenyl)-[(3,4,5-trimethoxyphenyl)methyl]diazene

C18H22N2O3 — CID 91105164

IUPAC(2-ethylphenyl)-[(3,4,5-trimethoxyphenyl)methyl]diazene
SMILESCCc1ccccc1/N=N/Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C18H22N2O3/c1-5-14-8-6-7-9-15(14)20-19-12-13-10-16(21-2)18(23-4)17(11-13)22-3/h6-11H,5,12H2,1-4H3/b20-19+
InChIKeyIAWDEJUQMZQZAM-FMQUCBEESA-N
MW314.39 g/mol
LogP4.56
Rot. Bonds7

About (2-ethylphenyl)-[(3,4,5-trimethoxyphenyl)methyl]diazene

(2-ethylphenyl)-[(3,4,5-trimethoxyphenyl)methyl]diazene (PubChem CID 91105164) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is (2-ethylphenyl)-[(3,4,5-trimethoxyphenyl)methyl]diazene.

Molecular Properties

Compound Name(2-ethylphenyl)-[(3,4,5-trimethoxyphenyl)methyl]diazene
PubChem CID91105164
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name(2-ethylphenyl)-[(3,4,5-trimethoxyphenyl)methyl]diazene
SMILESCCc1ccccc1/N=N/Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C18H22N2O3/c1-5-14-8-6-7-9-15(14)20-19-12-13-10-16(21-2)18(23-4)17(11-13)22-3/h6-11H,5,12H2,1-4H3/b20-19+
InChIKeyIAWDEJUQMZQZAM-FMQUCBEESA-N
XLogP4.56
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.56
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

1-(2-ethylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine
CID 119137895
N-[(2-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2713308
2-[2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]acetic acid
CID 119218478
N-(2-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2599423
1-[2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]ethanone
CID 135057699
5-(azidomethyl)-1,2,3-trimethoxybenzene;molecular fluorine
CID 167696388
(2-methoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
CID 8778510
1-(2,6-diethylphenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 108866635
triphenyl-[(3,4,5-trimethoxyphenyl)methyl]phosphanium chloride
CID 10552678
triphenyl-[(3,4,5-trimethoxyphenyl)methyl]phosphanium;hydrochloride
CID 126958760
(2-ethoxyphenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate
CID 8013844
N-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]propanamide
CID 39991372

Frequently Asked Questions

What is the IUPAC name of (2-ethylphenyl)-[(3,4,5-trimethoxyphenyl)methyl]diazene?
The IUPAC name of (2-ethylphenyl)-[(3,4,5-trimethoxyphenyl)methyl]diazene (CID 91105164) is (2-ethylphenyl)-[(3,4,5-trimethoxyphenyl)methyl]diazene.
What is the SMILES notation for (2-ethylphenyl)-[(3,4,5-trimethoxyphenyl)methyl]diazene?
The canonical SMILES for (2-ethylphenyl)-[(3,4,5-trimethoxyphenyl)methyl]diazene is CCc1ccccc1/N=N/Cc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of (2-ethylphenyl)-[(3,4,5-trimethoxyphenyl)methyl]diazene?
The InChIKey is IAWDEJUQMZQZAM-FMQUCBEESA-N. The full InChI is InChI=1S/C18H22N2O3/c1-5-14-8-6-7-9-15(14)20-19-12-13-10-16(21-2)18(23-4)17(11-13)22-3/h6-11H,5,12H2,1-4H3/b20-19+.
What are the key properties of (2-ethylphenyl)-[(3,4,5-trimethoxyphenyl)methyl]diazene?
(2-ethylphenyl)-[(3,4,5-trimethoxyphenyl)methyl]diazene has a molecular weight of 314.39 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylphenyl)-[(3,4,5-trimethoxyphenyl)methyl]diazene is sourced from PubChem (CID 91105164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).