3-butoxy-5-methoxy-4-nitrophenol

C11H15NO5 — CID 71221076

IUPAC3-butoxy-5-methoxy-4-nitrophenol
SMILESCCCCOc1cc(O)cc(OC)c1[N+](=O)[O-]
InChIInChI=1S/C11H15NO5/c1-3-4-5-17-10-7-8(13)6-9(16-2)11(10)12(14)15/h6-7,13H,3-5H2,1-2H3
InChIKeyOWLZIFIYMGMMAN-UHFFFAOYSA-N
MW241.24 g/mol
LogP2.49
Rot. Bonds6

About 3-butoxy-5-methoxy-4-nitrophenol

3-butoxy-5-methoxy-4-nitrophenol (PubChem CID 71221076) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is 3-butoxy-5-methoxy-4-nitrophenol.

Molecular Properties

Compound Name3-butoxy-5-methoxy-4-nitrophenol
PubChem CID71221076
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name3-butoxy-5-methoxy-4-nitrophenol
SMILESCCCCOc1cc(O)cc(OC)c1[N+](=O)[O-]
InChIInChI=1S/C11H15NO5/c1-3-4-5-17-10-7-8(13)6-9(16-2)11(10)12(14)15/h6-7,13H,3-5H2,1-2H3
InChIKeyOWLZIFIYMGMMAN-UHFFFAOYSA-N
XLogP2.49
TPSA81.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-butoxy-5-methoxy-4-nitrobenzonitrile
CID 151778779
2,3,6,7,10,11-hexabutoxy-1,5,9-trinitrotriphenylene
CID 100951753
2-nitro-1,3-dioctoxybenzene
CID 537243
2-butoxy-5-nitrophenol
CID 141158099
3,5-dimethoxy-2-nitrophenol
CID 10965507
4-hexoxy-3,5-dimethoxyphenol
CID 10244041
1,3,5-trimethoxy-2-nitrobenzene
CID 518903
N'-(4-butoxy-3-methoxybenzoyl)-3,4,5-trimethoxy-2-nitrobenzohydrazide
CID 24514989
4-[5-(2-butoxy-4-carboxy-5-nitrophenoxy)pentoxy]-5-methoxy-2-nitrobenzoic acid
CID 90433166
1-nitro-3,6,7,10,11-pentapentoxytriphenylen-2-ol
CID 100951761
4-(butoxymethyl)-2-methoxy-1-nitrobenzene
CID 91724481
3-methoxy-4-methyl-5-nitrophenol
CID 131555284

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-5-methoxy-4-nitrophenol?
The IUPAC name of 3-butoxy-5-methoxy-4-nitrophenol (CID 71221076) is 3-butoxy-5-methoxy-4-nitrophenol.
What is the SMILES notation for 3-butoxy-5-methoxy-4-nitrophenol?
The canonical SMILES for 3-butoxy-5-methoxy-4-nitrophenol is CCCCOc1cc(O)cc(OC)c1[N+](=O)[O-].
What is the InChIKey of 3-butoxy-5-methoxy-4-nitrophenol?
The InChIKey is OWLZIFIYMGMMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c1-3-4-5-17-10-7-8(13)6-9(16-2)11(10)12(14)15/h6-7,13H,3-5H2,1-2H3.
What are the key properties of 3-butoxy-5-methoxy-4-nitrophenol?
3-butoxy-5-methoxy-4-nitrophenol has a molecular weight of 241.24 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-5-methoxy-4-nitrophenol is sourced from PubChem (CID 71221076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).