3-(4-methoxy-2-nitrophenoxy)-5-methylphenol

C14H13NO5 — CID 107680500

IUPAC3-(4-methoxy-2-nitrophenoxy)-5-methylphenol
SMILESCOc1ccc(Oc2cc(C)cc(O)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H13NO5/c1-9-5-10(16)7-12(6-9)20-14-4-3-11(19-2)8-13(14)15(17)18/h3-8,16H,1-2H3
InChIKeyZSOUWVDMBAHTAX-UHFFFAOYSA-N
MW275.26 g/mol
LogP3.41
Rot. Bonds4

About 3-(4-methoxy-2-nitrophenoxy)-5-methylphenol

3-(4-methoxy-2-nitrophenoxy)-5-methylphenol (PubChem CID 107680500) has the molecular formula C14H13NO5 and a molecular weight of 275.26 g/mol. Its IUPAC name is 3-(4-methoxy-2-nitrophenoxy)-5-methylphenol.

Molecular Properties

Compound Name3-(4-methoxy-2-nitrophenoxy)-5-methylphenol
PubChem CID107680500
Molecular FormulaC14H13NO5
Molecular Weight275.26 g/mol
Exact Mass275.08
IUPAC Name3-(4-methoxy-2-nitrophenoxy)-5-methylphenol
SMILESCOc1ccc(Oc2cc(C)cc(O)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H13NO5/c1-9-5-10(16)7-12(6-9)20-14-4-3-11(19-2)8-13(14)15(17)18/h3-8,16H,1-2H3
InChIKeyZSOUWVDMBAHTAX-UHFFFAOYSA-N
XLogP3.41
TPSA81.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 53.41
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

4-(4-methoxy-2-nitrophenoxy)aniline
CID 54908814
3-methyl-5-(2-methyl-4-nitrophenoxy)phenol
CID 107680644
4-[4-(4-hydroxy-2-nitrophenoxy)-3-nitrophenoxy]-3-nitrophenol
CID 91275856
4-methoxy-1-(4-methylsulfonylphenoxy)-2-nitrobenzene
CID 163575479
1-(4-bromo-2-nitrophenoxy)-4-methoxy-2-nitrobenzene
CID 55502713
3-(4-methoxy-2-nitrophenoxy)aniline
CID 54908684
(1R)-1-[4-(3,5-dimethylphenoxy)-3-nitrophenyl]ethanol
CID 63372315
ethane;5-methoxy-2-nitrophenol
CID 143133372
4-methoxy-1-[2-(4-methylphenoxy)ethoxy]-2-nitrobenzene
CID 55327751
3-methyl-5-[(3-nitro-2-pyridinyl)oxy]phenol
CID 107680779
3-methoxy-4-(5-methoxy-2-nitrophenoxy)phenol
CID 163522418
ethane;4-methoxy-2-methyl-1-nitrobenzene
CID 142240098

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2-nitrophenoxy)-5-methylphenol?
The IUPAC name of 3-(4-methoxy-2-nitrophenoxy)-5-methylphenol (CID 107680500) is 3-(4-methoxy-2-nitrophenoxy)-5-methylphenol.
What is the SMILES notation for 3-(4-methoxy-2-nitrophenoxy)-5-methylphenol?
The canonical SMILES for 3-(4-methoxy-2-nitrophenoxy)-5-methylphenol is COc1ccc(Oc2cc(C)cc(O)c2)c([N+](=O)[O-])c1.
What is the InChIKey of 3-(4-methoxy-2-nitrophenoxy)-5-methylphenol?
The InChIKey is ZSOUWVDMBAHTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5/c1-9-5-10(16)7-12(6-9)20-14-4-3-11(19-2)8-13(14)15(17)18/h3-8,16H,1-2H3.
What are the key properties of 3-(4-methoxy-2-nitrophenoxy)-5-methylphenol?
3-(4-methoxy-2-nitrophenoxy)-5-methylphenol has a molecular weight of 275.26 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-2-nitrophenoxy)-5-methylphenol is sourced from PubChem (CID 107680500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).