(2,5-dimethoxyphenyl)methyldiazene

C9H12N2O2 — CID 123249085

IUPAC(2,5-dimethoxyphenyl)methyldiazene
SMILES[H]/N=N/Cc1cc(OC)ccc1OC
InChIInChI=1S/C9H12N2O2/c1-12-8-3-4-9(13-2)7(5-8)6-11-10/h3-5,10H,6H2,1-2H3/b11-10+
InChIKeyKTCKONKZNKZZJM-ZHACJKMWSA-N
MW180.21 g/mol
LogP2.23
Rot. Bonds4

About (2,5-dimethoxyphenyl)methyldiazene

(2,5-dimethoxyphenyl)methyldiazene (PubChem CID 123249085) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)methyldiazene.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)methyldiazene
PubChem CID123249085
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name(2,5-dimethoxyphenyl)methyldiazene
SMILES[H]/N=N/Cc1cc(OC)ccc1OC
InChIInChI=1S/C9H12N2O2/c1-12-8-3-4-9(13-2)7(5-8)6-11-10/h3-5,10H,6H2,1-2H3/b11-10+
InChIKeyKTCKONKZNKZZJM-ZHACJKMWSA-N
XLogP2.23
TPSA54.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 52.23
H-Bond Donors ≤ 51
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-(diazenylmethyl)-4-methoxyphenol
CID 91523792
1,4-dimethoxy-2-(nitrosomethyl)benzene
CID 143996904
(E)-4-(2,5-dimethoxyphenyl)but-2-en-1-ol
CID 135008625
2-(ethoxymethyl)-1,4-dimethoxybenzene
CID 12068886
2-[2-[2-[2-[(2,5-dimethoxyphenyl)methoxy]ethoxy]ethoxy]ethoxymethyl]-1,4-dimethoxybenzene
CID 15109386
N,N,1,1,2,2-hexadeuterio-2-(2,5-dimethoxyphenyl)ethanamine
CID 71777141
2-(2-bromo-2-methylpropyl)-1,4-dimethoxybenzene
CID 82255120
3-(2,5-dimethoxyphenyl)-2-methylpropane-1-thiol
CID 83938199
2-(3-fluoropropyl)-1,4-dimethoxybenzene
CID 83938230
2-(2,2-diethoxyethyl)-1,4-dimethoxybenzene
CID 146004697
1-(2,5-dimethoxyphenyl)-3-sulfanylpropan-2-one
CID 58139295
1-(azidomethyl)-2,4-dimethoxybenzene
CID 14217595

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)methyldiazene?
The IUPAC name of (2,5-dimethoxyphenyl)methyldiazene (CID 123249085) is (2,5-dimethoxyphenyl)methyldiazene.
What is the SMILES notation for (2,5-dimethoxyphenyl)methyldiazene?
The canonical SMILES for (2,5-dimethoxyphenyl)methyldiazene is [H]/N=N/Cc1cc(OC)ccc1OC.
What is the InChIKey of (2,5-dimethoxyphenyl)methyldiazene?
The InChIKey is KTCKONKZNKZZJM-ZHACJKMWSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-12-8-3-4-9(13-2)7(5-8)6-11-10/h3-5,10H,6H2,1-2H3/b11-10+.
What are the key properties of (2,5-dimethoxyphenyl)methyldiazene?
(2,5-dimethoxyphenyl)methyldiazene has a molecular weight of 180.21 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)methyldiazene is sourced from PubChem (CID 123249085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).