2,4-dimethoxy-3-methyl-5-nitrophenol

C9H11NO5 — CID 11031178

IUPAC2,4-dimethoxy-3-methyl-5-nitrophenol
SMILESCOc1c(O)cc([N+](=O)[O-])c(OC)c1C
InChIInChI=1S/C9H11NO5/c1-5-8(14-2)6(10(12)13)4-7(11)9(5)15-3/h4,11H,1-3H3
InChIKeyJWBFELMAKOXMJL-UHFFFAOYSA-N
MW213.19 g/mol
LogP1.63
Rot. Bonds3

About 2,4-dimethoxy-3-methyl-5-nitrophenol

2,4-dimethoxy-3-methyl-5-nitrophenol (PubChem CID 11031178) has the molecular formula C9H11NO5 and a molecular weight of 213.19 g/mol. Its IUPAC name is 2,4-dimethoxy-3-methyl-5-nitrophenol.

Molecular Properties

Compound Name2,4-dimethoxy-3-methyl-5-nitrophenol
PubChem CID11031178
Molecular FormulaC9H11NO5
Molecular Weight213.19 g/mol
Exact Mass213.06
IUPAC Name2,4-dimethoxy-3-methyl-5-nitrophenol
SMILESCOc1c(O)cc([N+](=O)[O-])c(OC)c1C
InChIInChI=1S/C9H11NO5/c1-5-8(14-2)6(10(12)13)4-7(11)9(5)15-3/h4,11H,1-3H3
InChIKeyJWBFELMAKOXMJL-UHFFFAOYSA-N
XLogP1.63
TPSA81.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 51.63
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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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-3-methyl-5-nitrophenol?
The IUPAC name of 2,4-dimethoxy-3-methyl-5-nitrophenol (CID 11031178) is 2,4-dimethoxy-3-methyl-5-nitrophenol.
What is the SMILES notation for 2,4-dimethoxy-3-methyl-5-nitrophenol?
The canonical SMILES for 2,4-dimethoxy-3-methyl-5-nitrophenol is COc1c(O)cc([N+](=O)[O-])c(OC)c1C.
What is the InChIKey of 2,4-dimethoxy-3-methyl-5-nitrophenol?
The InChIKey is JWBFELMAKOXMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO5/c1-5-8(14-2)6(10(12)13)4-7(11)9(5)15-3/h4,11H,1-3H3.
What are the key properties of 2,4-dimethoxy-3-methyl-5-nitrophenol?
2,4-dimethoxy-3-methyl-5-nitrophenol has a molecular weight of 213.19 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-3-methyl-5-nitrophenol is sourced from PubChem (CID 11031178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).