(2,5-dimethoxy-4-propan-2-ylphenyl)-(4-methylphenyl)diazene

C18H22N2O2 — CID 59237990

IUPAC(2,5-dimethoxy-4-propan-2-ylphenyl)-(4-methylphenyl)diazene
SMILESCOc1cc(C(C)C)c(OC)cc1/N=N/c1ccc(C)cc1
InChIInChI=1S/C18H22N2O2/c1-12(2)15-10-18(22-5)16(11-17(15)21-4)20-19-14-8-6-13(3)7-9-14/h6-12H,1-5H3/b20-19+
InChIKeyKBMVVHDHCPGCON-FMQUCBEESA-N
MW298.39 g/mol
LogP5.55
Rot. Bonds5

About (2,5-dimethoxy-4-propan-2-ylphenyl)-(4-methylphenyl)diazene

(2,5-dimethoxy-4-propan-2-ylphenyl)-(4-methylphenyl)diazene (PubChem CID 59237990) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is (2,5-dimethoxy-4-propan-2-ylphenyl)-(4-methylphenyl)diazene.

Molecular Properties

Compound Name(2,5-dimethoxy-4-propan-2-ylphenyl)-(4-methylphenyl)diazene
PubChem CID59237990
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name(2,5-dimethoxy-4-propan-2-ylphenyl)-(4-methylphenyl)diazene
SMILESCOc1cc(C(C)C)c(OC)cc1/N=N/c1ccc(C)cc1
InChIInChI=1S/C18H22N2O2/c1-12(2)15-10-18(22-5)16(11-17(15)21-4)20-19-14-8-6-13(3)7-9-14/h6-12H,1-5H3/b20-19+
InChIKeyKBMVVHDHCPGCON-FMQUCBEESA-N
XLogP5.55
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.39
LogP ≤ 55.55
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

(2-methoxy-4-methylphenyl)-[4-[(2-methoxyphenyl)diazenyl]phenyl]diazene
CID 156523555
(4-methylphenyl)-(3,4,5-trimethoxyphenyl)diazene
CID 18739111
bis(4-methylphenyl)diazene
CID 10389
[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]-(4-propan-2-yliodanuidylphenyl)diazene
CID 163798769
4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]-N-methyl-N-propan-2-ylaniline
CID 118234425
1-methoxy-2-methyl-4-(4-methylphenyl)sulfanyloxy-5-propan-2-ylbenzene
CID 143419768
[4-methoxy-2,5-di(propan-2-yl)phenyl]phosphane
CID 167009841
(4-dodecoxy-5-methyl-2-propan-2-ylphenyl)-(4-methylphenyl)diazene;4-[(4-hydroxyphenyl)diazenyl]-2-methyl-5-propan-2-ylphenol
CID 158064737
4-[[4-[[4-[(2R)-2-hydroxypropoxy]phenyl]diazenyl]-5-methoxy-2-methylphenyl]diazenyl]benzenesulfonic acid
CID 92953866
4-methoxy-2-methyl-5-[(4-sulfophenyl)diazenyl]benzenesulfonic acid
CID 89359765
1-[isocyano-(4-methylphenyl)sulfonylmethyl]-2,4-dimethoxy-5-propan-2-ylbenzene
CID 87616052
(4-methylphenyl)-(2,4,5-trimethoxyphenyl)methanamine
CID 43121496

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxy-4-propan-2-ylphenyl)-(4-methylphenyl)diazene?
The IUPAC name of (2,5-dimethoxy-4-propan-2-ylphenyl)-(4-methylphenyl)diazene (CID 59237990) is (2,5-dimethoxy-4-propan-2-ylphenyl)-(4-methylphenyl)diazene.
What is the SMILES notation for (2,5-dimethoxy-4-propan-2-ylphenyl)-(4-methylphenyl)diazene?
The canonical SMILES for (2,5-dimethoxy-4-propan-2-ylphenyl)-(4-methylphenyl)diazene is COc1cc(C(C)C)c(OC)cc1/N=N/c1ccc(C)cc1.
What is the InChIKey of (2,5-dimethoxy-4-propan-2-ylphenyl)-(4-methylphenyl)diazene?
The InChIKey is KBMVVHDHCPGCON-FMQUCBEESA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12(2)15-10-18(22-5)16(11-17(15)21-4)20-19-14-8-6-13(3)7-9-14/h6-12H,1-5H3/b20-19+.
What are the key properties of (2,5-dimethoxy-4-propan-2-ylphenyl)-(4-methylphenyl)diazene?
(2,5-dimethoxy-4-propan-2-ylphenyl)-(4-methylphenyl)diazene has a molecular weight of 298.39 g/mol, XLogP of 5.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxy-4-propan-2-ylphenyl)-(4-methylphenyl)diazene is sourced from PubChem (CID 59237990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).