1,4-dimethoxy-2-(nitrosomethyl)benzene

C9H11NO3 — CID 143996904

IUPAC1,4-dimethoxy-2-(nitrosomethyl)benzene
SMILESCOc1ccc(OC)c(CN=O)c1
InChIInChI=1S/C9H11NO3/c1-12-8-3-4-9(13-2)7(5-8)6-10-11/h3-5H,6H2,1-2H3
InChIKeyMDZFSNUHQLASLN-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.97
Rot. Bonds4

About 1,4-dimethoxy-2-(nitrosomethyl)benzene

1,4-dimethoxy-2-(nitrosomethyl)benzene (PubChem CID 143996904) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 1,4-dimethoxy-2-(nitrosomethyl)benzene.

Molecular Properties

Compound Name1,4-dimethoxy-2-(nitrosomethyl)benzene
PubChem CID143996904
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name1,4-dimethoxy-2-(nitrosomethyl)benzene
SMILESCOc1ccc(OC)c(CN=O)c1
InChIInChI=1S/C9H11NO3/c1-12-8-3-4-9(13-2)7(5-8)6-10-11/h3-5H,6H2,1-2H3
InChIKeyMDZFSNUHQLASLN-UHFFFAOYSA-N
XLogP1.97
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dimethoxyphenyl)methyldiazene
CID 123249085
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
1-(2,5-dimethoxyphenyl)-3-sulfanylpropan-2-one
CID 58139295
(2,5-dimethoxyphenyl)methyl methanesulfonate;ethane
CID 90981417
3-(2,5-dimethoxyphenyl)propanoyl chloride
CID 121219721
N-[(2,5-dimethoxyphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194742
2-(2,5-dimethoxyphenyl)-N-methoxyacetamide
CID 78829398
2-(3-fluoropropyl)-1,4-dimethoxybenzene
CID 83938230
3-[(2,5-dimethoxyphenyl)methylamino]propanoic acid
CID 43112090

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethoxy-2-(nitrosomethyl)benzene?
The IUPAC name of 1,4-dimethoxy-2-(nitrosomethyl)benzene (CID 143996904) is 1,4-dimethoxy-2-(nitrosomethyl)benzene.
What is the SMILES notation for 1,4-dimethoxy-2-(nitrosomethyl)benzene?
The canonical SMILES for 1,4-dimethoxy-2-(nitrosomethyl)benzene is COc1ccc(OC)c(CN=O)c1.
What is the InChIKey of 1,4-dimethoxy-2-(nitrosomethyl)benzene?
The InChIKey is MDZFSNUHQLASLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-12-8-3-4-9(13-2)7(5-8)6-10-11/h3-5H,6H2,1-2H3.
What are the key properties of 1,4-dimethoxy-2-(nitrosomethyl)benzene?
1,4-dimethoxy-2-(nitrosomethyl)benzene has a molecular weight of 181.19 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethoxy-2-(nitrosomethyl)benzene is sourced from PubChem (CID 143996904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).