(4-methoxyphenyl)-[4-(2-methylbutyl)phenyl]diazene

C18H22N2O — CID 101070141

IUPAC(4-methoxyphenyl)-[4-(2-methylbutyl)phenyl]diazene
SMILESCCC(C)Cc1ccc(/N=N/c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H22N2O/c1-4-14(2)13-15-5-7-16(8-6-15)19-20-17-9-11-18(21-3)12-10-17/h5-12,14H,4,13H2,1-3H3/b20-19+
InChIKeyWYBUWMBFWUUCAP-FMQUCBEESA-N
MW282.39 g/mol
LogP5.70
Rot. Bonds6

About (4-methoxyphenyl)-[4-(2-methylbutyl)phenyl]diazene

(4-methoxyphenyl)-[4-(2-methylbutyl)phenyl]diazene (PubChem CID 101070141) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is (4-methoxyphenyl)-[4-(2-methylbutyl)phenyl]diazene.

Molecular Properties

Compound Name(4-methoxyphenyl)-[4-(2-methylbutyl)phenyl]diazene
PubChem CID101070141
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name(4-methoxyphenyl)-[4-(2-methylbutyl)phenyl]diazene
SMILESCCC(C)Cc1ccc(/N=N/c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H22N2O/c1-4-14(2)13-15-5-7-16(8-6-15)19-20-17-9-11-18(21-3)12-10-17/h5-12,14H,4,13H2,1-3H3/b20-19+
InChIKeyWYBUWMBFWUUCAP-FMQUCBEESA-N
XLogP5.70
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.39
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

ethane;formaldehyde;1-methoxy-4-[(2S)-2-methylbutyl]benzene
CID 171097729
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1-[(2R)-2-methylbutyl]-4-(2-methylpropoxy)benzene
CID 144625021
N-[(4-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 43201033
4-(4-methoxyphenyl)-3-methylbutanal
CID 19846631
1-methoxy-4-[(2R)-2-methoxypropyl]benzene
CID 138984863
1-(4-methoxyphenyl)propane-2-thiol
CID 63272833
1-methyl-4-[4-[4-(2-methylbutyl)phenyl]phenoxy]benzene
CID 20641212
1-methyl-4-[(2R)-2-methylbutyl]benzene
CID 59123946
(4-methoxyphenyl)-methyldiazene
CID 20589170
2-[(4-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)hexan-1-amine
CID 63521367
N,N-diethyl-4-[(4-methoxyphenyl)diazenyl]aniline
CID 10589059

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[4-(2-methylbutyl)phenyl]diazene?
The IUPAC name of (4-methoxyphenyl)-[4-(2-methylbutyl)phenyl]diazene (CID 101070141) is (4-methoxyphenyl)-[4-(2-methylbutyl)phenyl]diazene.
What is the SMILES notation for (4-methoxyphenyl)-[4-(2-methylbutyl)phenyl]diazene?
The canonical SMILES for (4-methoxyphenyl)-[4-(2-methylbutyl)phenyl]diazene is CCC(C)Cc1ccc(/N=N/c2ccc(OC)cc2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[4-(2-methylbutyl)phenyl]diazene?
The InChIKey is WYBUWMBFWUUCAP-FMQUCBEESA-N. The full InChI is InChI=1S/C18H22N2O/c1-4-14(2)13-15-5-7-16(8-6-15)19-20-17-9-11-18(21-3)12-10-17/h5-12,14H,4,13H2,1-3H3/b20-19+.
What are the key properties of (4-methoxyphenyl)-[4-(2-methylbutyl)phenyl]diazene?
(4-methoxyphenyl)-[4-(2-methylbutyl)phenyl]diazene has a molecular weight of 282.39 g/mol, XLogP of 5.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[4-(2-methylbutyl)phenyl]diazene is sourced from PubChem (CID 101070141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).