3,5-dimethoxy-2-nitrophenol

C8H9NO5 — CID 10965507

IUPAC3,5-dimethoxy-2-nitrophenol
SMILESCOc1cc(O)c([N+](=O)[O-])c(OC)c1
InChIInChI=1S/C8H9NO5/c1-13-5-3-6(10)8(9(11)12)7(4-5)14-2/h3-4,10H,1-2H3
InChIKeyRWJQMPCYEXKXIA-UHFFFAOYSA-N
MW199.16 g/mol
LogP1.32
Rot. Bonds3

About 3,5-dimethoxy-2-nitrophenol

3,5-dimethoxy-2-nitrophenol (PubChem CID 10965507) has the molecular formula C8H9NO5 and a molecular weight of 199.16 g/mol. Its IUPAC name is 3,5-dimethoxy-2-nitrophenol.

Molecular Properties

Compound Name3,5-dimethoxy-2-nitrophenol
PubChem CID10965507
Molecular FormulaC8H9NO5
Molecular Weight199.16 g/mol
Exact Mass199.05
IUPAC Name3,5-dimethoxy-2-nitrophenol
SMILESCOc1cc(O)c([N+](=O)[O-])c(OC)c1
InChIInChI=1S/C8H9NO5/c1-13-5-3-6(10)8(9(11)12)7(4-5)14-2/h3-4,10H,1-2H3
InChIKeyRWJQMPCYEXKXIA-UHFFFAOYSA-N
XLogP1.32
TPSA81.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,3,5-trimethoxy-2-nitrobenzene
CID 518903
1-fluoro-3,5-dimethoxy-2-nitrobenzene
CID 71490874
3,5-dimethoxy-2-nitrobenzoic acid
CID 7472021
3,5-dimethoxy-2-nitrobenzoyl chloride
CID 14604499
2-(3-hydroxy-5-methoxy-4-nitrophenyl)acetic acid
CID 18188085
2-fluoro-1,5-dimethoxy-3-nitrobenzene
CID 15324514
4-[3-(4-cyanophenoxy)-5-hydroxy-4-nitrophenoxy]benzonitrile
CID 71378184
3-butoxy-5-methoxy-4-nitrophenol
CID 71221076
4-methoxy-5-nitrobenzene-1,2-diol
CID 86249066
2,4-dimethoxy-6-nitrobenzoic acid
CID 4913003
2-(3,5-dimethoxy-4-nitrophenoxy)-1,3,5-trimethoxy-4-nitrobenzene
CID 71371782
2-hydroxy-4-methoxy-6-nitrobenzoic acid
CID 170739780

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-2-nitrophenol?
The IUPAC name of 3,5-dimethoxy-2-nitrophenol (CID 10965507) is 3,5-dimethoxy-2-nitrophenol.
What is the SMILES notation for 3,5-dimethoxy-2-nitrophenol?
The canonical SMILES for 3,5-dimethoxy-2-nitrophenol is COc1cc(O)c([N+](=O)[O-])c(OC)c1.
What is the InChIKey of 3,5-dimethoxy-2-nitrophenol?
The InChIKey is RWJQMPCYEXKXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO5/c1-13-5-3-6(10)8(9(11)12)7(4-5)14-2/h3-4,10H,1-2H3.
What are the key properties of 3,5-dimethoxy-2-nitrophenol?
3,5-dimethoxy-2-nitrophenol has a molecular weight of 199.16 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-2-nitrophenol is sourced from PubChem (CID 10965507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).