2-ethoxy-3-(4-ethyl-2-nitrophenoxy)cyclobutan-1-ol

C14H19NO5 — CID 104675439

IUPAC2-ethoxy-3-(4-ethyl-2-nitrophenoxy)cyclobutan-1-ol
SMILESCCOC1C(O)CC1Oc1ccc(CC)cc1[N+](=O)[O-]
InChIInChI=1S/C14H19NO5/c1-3-9-5-6-12(10(7-9)15(17)18)20-13-8-11(16)14(13)19-4-2/h5-7,11,13-14,16H,3-4,8H2,1-2H3
InChIKeyWTXRKXFBLCLTRD-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.07
Rot. Bonds6

About 2-ethoxy-3-(4-ethyl-2-nitrophenoxy)cyclobutan-1-ol

2-ethoxy-3-(4-ethyl-2-nitrophenoxy)cyclobutan-1-ol (PubChem CID 104675439) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-ethoxy-3-(4-ethyl-2-nitrophenoxy)cyclobutan-1-ol.

Molecular Properties

Compound Name2-ethoxy-3-(4-ethyl-2-nitrophenoxy)cyclobutan-1-ol
PubChem CID104675439
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name2-ethoxy-3-(4-ethyl-2-nitrophenoxy)cyclobutan-1-ol
SMILESCCOC1C(O)CC1Oc1ccc(CC)cc1[N+](=O)[O-]
InChIInChI=1S/C14H19NO5/c1-3-9-5-6-12(10(7-9)15(17)18)20-13-8-11(16)14(13)19-4-2/h5-7,11,13-14,16H,3-4,8H2,1-2H3
InChIKeyWTXRKXFBLCLTRD-UHFFFAOYSA-N
XLogP2.07
TPSA81.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.07
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

3-(4-methyl-2-nitrophenoxy)-2-propoxycyclobutan-1-ol
CID 107942567
1-(3-chloro-2-methoxycyclobutyl)oxy-4-ethyl-2-nitrobenzene
CID 104674118
2-ethoxy-3-(4-methyl-2-nitrophenoxy)cyclobutan-1-amine
CID 104676428
3-(4-bromo-2-nitrophenoxy)-2-ethoxycyclobutan-1-amine
CID 104676585
3-(4-ethyl-2-nitrophenoxy)spiro[3.4]octan-1-ol
CID 66345446
2-[4-(hydroxymethyl)-2-nitrophenoxy]cyclopentan-1-ol
CID 60884404
3-(4-ethyl-2-nitrophenoxy)cyclohexan-1-one
CID 79625164
2-[4-(methylaminomethyl)-2-nitrophenoxy]cyclopentan-1-ol
CID 60881807
1-ethenoxy-4-ethyl-2-nitrobenzene
CID 66367399
4-ethyl-1-(2-methoxyethoxy)-2-nitrobenzene
CID 56791150
ethyl 2-(4-ethyl-2-nitrophenoxy)-2-fluoroacetate
CID 79356770
2-ethoxy-3-(2-methylphenoxy)cyclobutan-1-ol
CID 104675291

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(4-ethyl-2-nitrophenoxy)cyclobutan-1-ol?
The IUPAC name of 2-ethoxy-3-(4-ethyl-2-nitrophenoxy)cyclobutan-1-ol (CID 104675439) is 2-ethoxy-3-(4-ethyl-2-nitrophenoxy)cyclobutan-1-ol.
What is the SMILES notation for 2-ethoxy-3-(4-ethyl-2-nitrophenoxy)cyclobutan-1-ol?
The canonical SMILES for 2-ethoxy-3-(4-ethyl-2-nitrophenoxy)cyclobutan-1-ol is CCOC1C(O)CC1Oc1ccc(CC)cc1[N+](=O)[O-].
What is the InChIKey of 2-ethoxy-3-(4-ethyl-2-nitrophenoxy)cyclobutan-1-ol?
The InChIKey is WTXRKXFBLCLTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-3-9-5-6-12(10(7-9)15(17)18)20-13-8-11(16)14(13)19-4-2/h5-7,11,13-14,16H,3-4,8H2,1-2H3.
What are the key properties of 2-ethoxy-3-(4-ethyl-2-nitrophenoxy)cyclobutan-1-ol?
2-ethoxy-3-(4-ethyl-2-nitrophenoxy)cyclobutan-1-ol has a molecular weight of 281.31 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(4-ethyl-2-nitrophenoxy)cyclobutan-1-ol is sourced from PubChem (CID 104675439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).