(2-methoxy-3,5-dimethylphenyl)-propan-2-yldiazene

C12H18N2O — CID 21343007

IUPAC(2-methoxy-3,5-dimethylphenyl)-propan-2-yldiazene
SMILESCOc1c(C)cc(C)cc1/N=N/C(C)C
InChIInChI=1S/C12H18N2O/c1-8(2)13-14-11-7-9(3)6-10(4)12(11)15-5/h6-8H,1-5H3/b14-13+
InChIKeyHQPJNMLKHQPNKK-BUHFOSPRSA-N
MW206.29 g/mol
LogP3.80
Rot. Bonds3

About (2-methoxy-3,5-dimethylphenyl)-propan-2-yldiazene

(2-methoxy-3,5-dimethylphenyl)-propan-2-yldiazene (PubChem CID 21343007) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (2-methoxy-3,5-dimethylphenyl)-propan-2-yldiazene.

Molecular Properties

Compound Name(2-methoxy-3,5-dimethylphenyl)-propan-2-yldiazene
PubChem CID21343007
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(2-methoxy-3,5-dimethylphenyl)-propan-2-yldiazene
SMILESCOc1c(C)cc(C)cc1/N=N/C(C)C
InChIInChI=1S/C12H18N2O/c1-8(2)13-14-11-7-9(3)6-10(4)12(11)15-5/h6-8H,1-5H3/b14-13+
InChIKeyHQPJNMLKHQPNKK-BUHFOSPRSA-N
XLogP3.80
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 53.80
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

2-[(2-methoxy-3,5-dimethylphenyl)diazenyl]phenol
CID 135597406
ethane;2-methoxy-1,3,5-trimethylbenzene
CID 142174927
[dimethyl(phenyl)silyl]-(2-methoxy-3,5-dimethylphenyl)diazene
CID 21343001
N-(2-methoxy-3,5-dimethylphenyl)iminobenzenesulfonamide
CID 21343022
2-methoxy-1,5-dimethyl-3-propan-2-ylbenzene
CID 149196721
3-amino-3-(2-methoxy-3,5-dimethylphenyl)-2-methylpropanoic acid
CID 116938050
ethane;1,3,5-trimethyl-2-propan-2-yloxybenzene
CID 142216481
2-methoxy-1,5-dimethyl-3-(3-methylhex-4-yn-2-yl)benzene
CID 83941973
3-(2-methoxy-3,5-dimethylphenyl)-2-methylpropane-1-thiol
CID 83941900
ethane;1-ethyl-2-methoxy-3,5-dimethylbenzene
CID 169219679
2-methoxy-1,5-dimethyl-3-pent-4-en-2-ylbenzene
CID 83941974
2-methoxy-1,5-dimethyl-3-(2-methylbut-3-ynyl)benzene
CID 83941963

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-3,5-dimethylphenyl)-propan-2-yldiazene?
The IUPAC name of (2-methoxy-3,5-dimethylphenyl)-propan-2-yldiazene (CID 21343007) is (2-methoxy-3,5-dimethylphenyl)-propan-2-yldiazene.
What is the SMILES notation for (2-methoxy-3,5-dimethylphenyl)-propan-2-yldiazene?
The canonical SMILES for (2-methoxy-3,5-dimethylphenyl)-propan-2-yldiazene is COc1c(C)cc(C)cc1/N=N/C(C)C.
What is the InChIKey of (2-methoxy-3,5-dimethylphenyl)-propan-2-yldiazene?
The InChIKey is HQPJNMLKHQPNKK-BUHFOSPRSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8(2)13-14-11-7-9(3)6-10(4)12(11)15-5/h6-8H,1-5H3/b14-13+.
What are the key properties of (2-methoxy-3,5-dimethylphenyl)-propan-2-yldiazene?
(2-methoxy-3,5-dimethylphenyl)-propan-2-yldiazene has a molecular weight of 206.29 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-3,5-dimethylphenyl)-propan-2-yldiazene is sourced from PubChem (CID 21343007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).