2-methoxy-3-(2-nitrophenoxy)cyclobutan-1-one

C11H11NO5 — CID 104673346

IUPAC2-methoxy-3-(2-nitrophenoxy)cyclobutan-1-one
SMILESCOC1C(=O)CC1Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H11NO5/c1-16-11-8(13)6-10(11)17-9-5-3-2-4-7(9)12(14)15/h2-5,10-11H,6H2,1H3
InChIKeyYZXJWTRFGSVRGX-UHFFFAOYSA-N
MW237.21 g/mol
LogP1.33
Rot. Bonds4

About 2-methoxy-3-(2-nitrophenoxy)cyclobutan-1-one

2-methoxy-3-(2-nitrophenoxy)cyclobutan-1-one (PubChem CID 104673346) has the molecular formula C11H11NO5 and a molecular weight of 237.21 g/mol. Its IUPAC name is 2-methoxy-3-(2-nitrophenoxy)cyclobutan-1-one.

Molecular Properties

Compound Name2-methoxy-3-(2-nitrophenoxy)cyclobutan-1-one
PubChem CID104673346
Molecular FormulaC11H11NO5
Molecular Weight237.21 g/mol
Exact Mass237.06
IUPAC Name2-methoxy-3-(2-nitrophenoxy)cyclobutan-1-one
SMILESCOC1C(=O)CC1Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H11NO5/c1-16-11-8(13)6-10(11)17-9-5-3-2-4-7(9)12(14)15/h2-5,10-11H,6H2,1H3
InChIKeyYZXJWTRFGSVRGX-UHFFFAOYSA-N
XLogP1.33
TPSA78.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 51.33
H-Bond Donors ≤ 50
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-(2-chloro-6-nitrophenoxy)-2-methoxycyclobutan-1-one
CID 107719143
2-methoxy-3-[2-nitro-4-(trifluoromethyl)phenoxy]cyclobutan-1-one
CID 104673520
2-methoxy-3-(2-methoxy-4-nitrophenoxy)cyclobutan-1-one
CID 104673469
N-methyl-2-(2-nitrophenoxy)cyclohexan-1-amine
CID 102634561
3-(4-fluoro-2-methylphenoxy)-2-methoxycyclobutan-1-one
CID 104673518
3-(2-nitrophenoxy)-2-propoxycyclobutan-1-amine
CID 107943256
ethane;3-(2-nitrophenoxy)oxolan-2-one
CID 91158220
1-nitro-2-(2-nitrophenyl)peroxybenzene
CID 151853711
3-[(6-methyl-2-nitro-3-pyridinyl)oxy]-2-propoxycyclobutan-1-one
CID 107942327
CID 174580034
CID 174580034
2-ethoxy-3-(2-methyl-5-nitrophenoxy)cyclobutan-1-one
CID 104675169
4-(2-methyl-3-nitrophenoxy)-1,1-dioxothiolan-3-ol
CID 60880094

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(2-nitrophenoxy)cyclobutan-1-one?
The IUPAC name of 2-methoxy-3-(2-nitrophenoxy)cyclobutan-1-one (CID 104673346) is 2-methoxy-3-(2-nitrophenoxy)cyclobutan-1-one.
What is the SMILES notation for 2-methoxy-3-(2-nitrophenoxy)cyclobutan-1-one?
The canonical SMILES for 2-methoxy-3-(2-nitrophenoxy)cyclobutan-1-one is COC1C(=O)CC1Oc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-methoxy-3-(2-nitrophenoxy)cyclobutan-1-one?
The InChIKey is YZXJWTRFGSVRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO5/c1-16-11-8(13)6-10(11)17-9-5-3-2-4-7(9)12(14)15/h2-5,10-11H,6H2,1H3.
What are the key properties of 2-methoxy-3-(2-nitrophenoxy)cyclobutan-1-one?
2-methoxy-3-(2-nitrophenoxy)cyclobutan-1-one has a molecular weight of 237.21 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(2-nitrophenoxy)cyclobutan-1-one is sourced from PubChem (CID 104673346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).