bis[2-(4-methoxyphenyl)propan-2-yl]diazene

C20H26N2O2 — CID 101224810

IUPACbis[2-(4-methoxyphenyl)propan-2-yl]diazene
SMILESCOc1ccc(C(C)(C)/N=N/C(C)(C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H26N2O2/c1-19(2,15-7-11-17(23-5)12-8-15)21-22-20(3,4)16-9-13-18(24-6)14-10-16/h7-14H,1-6H3/b22-21+
InChIKeyQBWDNVRWLVIGCQ-QURGRASLSA-N
MW326.44 g/mol
LogP5.33
Rot. Bonds6

About bis[2-(4-methoxyphenyl)propan-2-yl]diazene

bis[2-(4-methoxyphenyl)propan-2-yl]diazene (PubChem CID 101224810) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is bis[2-(4-methoxyphenyl)propan-2-yl]diazene.

Molecular Properties

Compound Namebis[2-(4-methoxyphenyl)propan-2-yl]diazene
PubChem CID101224810
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Namebis[2-(4-methoxyphenyl)propan-2-yl]diazene
SMILESCOc1ccc(C(C)(C)/N=N/C(C)(C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H26N2O2/c1-19(2,15-7-11-17(23-5)12-8-15)21-22-20(3,4)16-9-13-18(24-6)14-10-16/h7-14H,1-6H3/b22-21+
InChIKeyQBWDNVRWLVIGCQ-QURGRASLSA-N
XLogP5.33
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

CID 102373172
CID 102373172
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4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol
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CID 42077610
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Frequently Asked Questions

What is the IUPAC name of bis[2-(4-methoxyphenyl)propan-2-yl]diazene?
The IUPAC name of bis[2-(4-methoxyphenyl)propan-2-yl]diazene (CID 101224810) is bis[2-(4-methoxyphenyl)propan-2-yl]diazene.
What is the SMILES notation for bis[2-(4-methoxyphenyl)propan-2-yl]diazene?
The canonical SMILES for bis[2-(4-methoxyphenyl)propan-2-yl]diazene is COc1ccc(C(C)(C)/N=N/C(C)(C)c2ccc(OC)cc2)cc1.
What is the InChIKey of bis[2-(4-methoxyphenyl)propan-2-yl]diazene?
The InChIKey is QBWDNVRWLVIGCQ-QURGRASLSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-19(2,15-7-11-17(23-5)12-8-15)21-22-20(3,4)16-9-13-18(24-6)14-10-16/h7-14H,1-6H3/b22-21+.
What are the key properties of bis[2-(4-methoxyphenyl)propan-2-yl]diazene?
bis[2-(4-methoxyphenyl)propan-2-yl]diazene has a molecular weight of 326.44 g/mol, XLogP of 5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(4-methoxyphenyl)propan-2-yl]diazene is sourced from PubChem (CID 101224810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).