1-cyclohexyl-2-(4-methoxy-3-nitrophenoxy)ethanone

C15H19NO5 — CID 103201857

IUPAC1-cyclohexyl-2-(4-methoxy-3-nitrophenoxy)ethanone
SMILESCOc1ccc(OCC(=O)C2CCCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H19NO5/c1-20-15-8-7-12(9-13(15)16(18)19)21-10-14(17)11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3
InChIKeyLDYKPDOAZUJZSG-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.13
Rot. Bonds6

About 1-cyclohexyl-2-(4-methoxy-3-nitrophenoxy)ethanone

1-cyclohexyl-2-(4-methoxy-3-nitrophenoxy)ethanone (PubChem CID 103201857) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-cyclohexyl-2-(4-methoxy-3-nitrophenoxy)ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-(4-methoxy-3-nitrophenoxy)ethanone
PubChem CID103201857
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name1-cyclohexyl-2-(4-methoxy-3-nitrophenoxy)ethanone
SMILESCOc1ccc(OCC(=O)C2CCCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H19NO5/c1-20-15-8-7-12(9-13(15)16(18)19)21-10-14(17)11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3
InChIKeyLDYKPDOAZUJZSG-UHFFFAOYSA-N
XLogP3.13
TPSA78.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.13
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

2-(3-chloro-4-nitrophenoxy)-1-cyclohexylethanone
CID 115595147
1-cyclopentyl-2-(2-methoxy-5-nitrophenoxy)ethanone
CID 115648605
1-cyclohexyl-2-(3,4-dimethylphenoxy)ethanone
CID 115582250
1-cyclopropyl-2-(3-fluoro-4-nitrophenoxy)ethanone
CID 63904794
2-(3-chloro-4-nitrophenoxy)-1-cyclopropylethanone
CID 63904601
1-cyclohexyl-2-(3,5-dimethoxyphenoxy)ethanone
CID 115582293
1-cyclohexyl-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone
CID 115576386
2-(2-bromo-4-methoxyphenoxy)-1-cyclopentylethanone
CID 104705269
N-cyclohexyl-4-methoxy-3-nitrobenzamide
CID 711599
2-(4-methoxy-3-nitrophenoxy)cyclopentan-1-ol
CID 103202112
2-(cyclopropylamino)-3-(4-methoxy-3-nitrophenoxy)propanamide
CID 103202199
2-(4-bromo-3-methylphenoxy)-1-cyclohexylethanone
CID 113449053

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(4-methoxy-3-nitrophenoxy)ethanone?
The IUPAC name of 1-cyclohexyl-2-(4-methoxy-3-nitrophenoxy)ethanone (CID 103201857) is 1-cyclohexyl-2-(4-methoxy-3-nitrophenoxy)ethanone.
What is the SMILES notation for 1-cyclohexyl-2-(4-methoxy-3-nitrophenoxy)ethanone?
The canonical SMILES for 1-cyclohexyl-2-(4-methoxy-3-nitrophenoxy)ethanone is COc1ccc(OCC(=O)C2CCCCC2)cc1[N+](=O)[O-].
What is the InChIKey of 1-cyclohexyl-2-(4-methoxy-3-nitrophenoxy)ethanone?
The InChIKey is LDYKPDOAZUJZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-20-15-8-7-12(9-13(15)16(18)19)21-10-14(17)11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3.
What are the key properties of 1-cyclohexyl-2-(4-methoxy-3-nitrophenoxy)ethanone?
1-cyclohexyl-2-(4-methoxy-3-nitrophenoxy)ethanone has a molecular weight of 293.32 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(4-methoxy-3-nitrophenoxy)ethanone is sourced from PubChem (CID 103201857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).