5-methoxy-2-methyl-4-nitrosobenzene-1,3-diol

C8H9NO4 — CID 130034016

IUPAC5-methoxy-2-methyl-4-nitrosobenzene-1,3-diol
SMILESCOc1cc(O)c(C)c(O)c1N=O
InChIInChI=1S/C8H9NO4/c1-4-5(10)3-6(13-2)7(9-12)8(4)11/h3,10-11H,1-2H3
InChIKeyWYIFDAMWOTXVPP-UHFFFAOYSA-N
MW183.16 g/mol
LogP1.81
Rot. Bonds2

About 5-methoxy-2-methyl-4-nitrosobenzene-1,3-diol

5-methoxy-2-methyl-4-nitrosobenzene-1,3-diol (PubChem CID 130034016) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is 5-methoxy-2-methyl-4-nitrosobenzene-1,3-diol.

Molecular Properties

Compound Name5-methoxy-2-methyl-4-nitrosobenzene-1,3-diol
PubChem CID130034016
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name5-methoxy-2-methyl-4-nitrosobenzene-1,3-diol
SMILESCOc1cc(O)c(C)c(O)c1N=O
InChIInChI=1S/C8H9NO4/c1-4-5(10)3-6(13-2)7(9-12)8(4)11/h3,10-11H,1-2H3
InChIKeyWYIFDAMWOTXVPP-UHFFFAOYSA-N
XLogP1.81
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dihydroxy-6-methoxy-3-methylphenyl)-2-hydroxyethanone
CID 91352605
4-butyl-5-methoxy-2-methylbenzene-1,3-diol
CID 143238612
2,5-dimethoxy-3-methylbenzene-1,4-diol
CID 118620662
2-methoxy-6-methyl-4-nitrosophenol
CID 23270217
3,5-dimethoxy-2,6-dimethylphenol
CID 25145990
2,5-dimethoxy-3,4-dimethylphenol
CID 84658444
1-(2,4-dihydroxy-6-methoxy-3-methylphenyl)hexadecan-1-one
CID 171120738
5-methoxybenzene-1,2,4-triol
CID 20551665
2-fluoro-5-methoxy-3,4-dimethylphenol
CID 10607234
CID 89324774
CID 89324774
2,6-dimethoxy-1,5-dinitrosonaphthalene
CID 174897734
2-methoxy-5,8-dihydronaphthalene-1,4-diol
CID 5315063

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-4-nitrosobenzene-1,3-diol?
The IUPAC name of 5-methoxy-2-methyl-4-nitrosobenzene-1,3-diol (CID 130034016) is 5-methoxy-2-methyl-4-nitrosobenzene-1,3-diol.
What is the SMILES notation for 5-methoxy-2-methyl-4-nitrosobenzene-1,3-diol?
The canonical SMILES for 5-methoxy-2-methyl-4-nitrosobenzene-1,3-diol is COc1cc(O)c(C)c(O)c1N=O.
What is the InChIKey of 5-methoxy-2-methyl-4-nitrosobenzene-1,3-diol?
The InChIKey is WYIFDAMWOTXVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c1-4-5(10)3-6(13-2)7(9-12)8(4)11/h3,10-11H,1-2H3.
What are the key properties of 5-methoxy-2-methyl-4-nitrosobenzene-1,3-diol?
5-methoxy-2-methyl-4-nitrosobenzene-1,3-diol has a molecular weight of 183.16 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-4-nitrosobenzene-1,3-diol is sourced from PubChem (CID 130034016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).