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

C14H13NO6 — CID 163522418

IUPAC3-methoxy-4-(5-methoxy-2-nitrophenoxy)phenol
SMILESCOc1ccc([N+](=O)[O-])c(Oc2ccc(O)cc2OC)c1
InChIInChI=1S/C14H13NO6/c1-19-10-4-5-11(15(17)18)13(8-10)21-12-6-3-9(16)7-14(12)20-2/h3-8,16H,1-2H3
InChIKeyDLYWXKGBLYUZPN-UHFFFAOYSA-N
MW291.26 g/mol
LogP3.11
Rot. Bonds5

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

3-methoxy-4-(5-methoxy-2-nitrophenoxy)phenol (PubChem CID 163522418) has the molecular formula C14H13NO6 and a molecular weight of 291.26 g/mol. Its IUPAC name is 3-methoxy-4-(5-methoxy-2-nitrophenoxy)phenol.

Molecular Properties

Compound Name3-methoxy-4-(5-methoxy-2-nitrophenoxy)phenol
PubChem CID163522418
Molecular FormulaC14H13NO6
Molecular Weight291.26 g/mol
Exact Mass291.07
IUPAC Name3-methoxy-4-(5-methoxy-2-nitrophenoxy)phenol
SMILESCOc1ccc([N+](=O)[O-])c(Oc2ccc(O)cc2OC)c1
InChIInChI=1S/C14H13NO6/c1-19-10-4-5-11(15(17)18)13(8-10)21-12-6-3-9(16)7-14(12)20-2/h3-8,16H,1-2H3
InChIKeyDLYWXKGBLYUZPN-UHFFFAOYSA-N
XLogP3.11
TPSA91.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-(2,4-dibromophenoxy)-4-methoxy-1-nitrobenzene
CID 18406541
ethane;5-methoxy-2-nitrophenol
CID 143133372
4-[4-(4-hydroxy-2-nitrophenoxy)-3-nitrophenoxy]-3-nitrophenol
CID 91275856
2-[4-chloro-2-(chloromethyl)phenoxy]-4-methoxy-1-nitrobenzene
CID 102702832
1,2-dimethoxy-4-(2-nitrophenoxy)benzene
CID 11369382
4-(5-methoxy-2-nitrophenoxy)pyridin-2-amine
CID 102703861
[3-fluoro-4-(5-methoxy-2-nitrophenoxy)phenyl]methanamine
CID 102702881
2-(5-chloro-2-nitrophenoxy)-4-methoxybenzoic acid
CID 14489875
2-(5-methoxy-2-nitrophenoxy)acetic acid
CID 91683018
3-(4-methoxy-2-nitrophenoxy)-5-methylphenol
CID 107680500
4-(4-chloro-2-fluorophenoxy)-2-methoxy-1-nitrobenzene
CID 131877853
4-(5-methoxy-2-nitrophenoxy)butanoic acid
CID 102702553

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(5-methoxy-2-nitrophenoxy)phenol?
The IUPAC name of 3-methoxy-4-(5-methoxy-2-nitrophenoxy)phenol (CID 163522418) is 3-methoxy-4-(5-methoxy-2-nitrophenoxy)phenol.
What is the SMILES notation for 3-methoxy-4-(5-methoxy-2-nitrophenoxy)phenol?
The canonical SMILES for 3-methoxy-4-(5-methoxy-2-nitrophenoxy)phenol is COc1ccc([N+](=O)[O-])c(Oc2ccc(O)cc2OC)c1.
What is the InChIKey of 3-methoxy-4-(5-methoxy-2-nitrophenoxy)phenol?
The InChIKey is DLYWXKGBLYUZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO6/c1-19-10-4-5-11(15(17)18)13(8-10)21-12-6-3-9(16)7-14(12)20-2/h3-8,16H,1-2H3.
What are the key properties of 3-methoxy-4-(5-methoxy-2-nitrophenoxy)phenol?
3-methoxy-4-(5-methoxy-2-nitrophenoxy)phenol has a molecular weight of 291.26 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(5-methoxy-2-nitrophenoxy)phenol is sourced from PubChem (CID 163522418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).