1-cyclopentyl-2-(2-methoxy-5-nitrophenoxy)ethanone

C14H17NO5 — CID 115648605

IUPAC1-cyclopentyl-2-(2-methoxy-5-nitrophenoxy)ethanone
SMILESCOc1ccc([N+](=O)[O-])cc1OCC(=O)C1CCCC1
InChIInChI=1S/C14H17NO5/c1-19-13-7-6-11(15(17)18)8-14(13)20-9-12(16)10-4-2-3-5-10/h6-8,10H,2-5,9H2,1H3
InChIKeyWFACRMJVRICHEZ-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.74
Rot. Bonds6

About 1-cyclopentyl-2-(2-methoxy-5-nitrophenoxy)ethanone

1-cyclopentyl-2-(2-methoxy-5-nitrophenoxy)ethanone (PubChem CID 115648605) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 1-cyclopentyl-2-(2-methoxy-5-nitrophenoxy)ethanone.

Molecular Properties

Compound Name1-cyclopentyl-2-(2-methoxy-5-nitrophenoxy)ethanone
PubChem CID115648605
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name1-cyclopentyl-2-(2-methoxy-5-nitrophenoxy)ethanone
SMILESCOc1ccc([N+](=O)[O-])cc1OCC(=O)C1CCCC1
InChIInChI=1S/C14H17NO5/c1-19-13-7-6-11(15(17)18)8-14(13)20-9-12(16)10-4-2-3-5-10/h6-8,10H,2-5,9H2,1H3
InChIKeyWFACRMJVRICHEZ-UHFFFAOYSA-N
XLogP2.74
TPSA78.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.74
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

N-cyclohexyl-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931962
2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931860
1-cyclohexyl-2-(4-methoxy-3-nitrophenoxy)ethanone
CID 103201857
2-(2-bromo-5-nitrophenoxy)-1-cyclopropylethanone
CID 102975123
1-cyclopropyl-2-(2-fluoro-4-nitrophenoxy)ethanone
CID 63903842
(2-methoxy-5-nitrophenyl) cyclobutanecarboxylate
CID 71904426
2-(2-methoxy-5-nitrophenoxy)-N-(4-methylcyclohexyl)acetamide
CID 7931813
2-(2-methoxy-5-nitrophenoxy)-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 7931983
trans-(1S,2S)-2-(2-methoxy-5-nitrophenoxy)cyclohexan-1-ol
CID 102732545
N-(2-methoxy-5-nitrophenyl)cyclohexanecarboxamide
CID 798555
4-(2-methoxy-5-nitrophenoxy)-3-methylbut-2-enoic acid
CID 77005459
2-(2-methoxy-5-nitrophenoxy)ethanamine
CID 18980081

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(2-methoxy-5-nitrophenoxy)ethanone?
The IUPAC name of 1-cyclopentyl-2-(2-methoxy-5-nitrophenoxy)ethanone (CID 115648605) is 1-cyclopentyl-2-(2-methoxy-5-nitrophenoxy)ethanone.
What is the SMILES notation for 1-cyclopentyl-2-(2-methoxy-5-nitrophenoxy)ethanone?
The canonical SMILES for 1-cyclopentyl-2-(2-methoxy-5-nitrophenoxy)ethanone is COc1ccc([N+](=O)[O-])cc1OCC(=O)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(2-methoxy-5-nitrophenoxy)ethanone?
The InChIKey is WFACRMJVRICHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-19-13-7-6-11(15(17)18)8-14(13)20-9-12(16)10-4-2-3-5-10/h6-8,10H,2-5,9H2,1H3.
What are the key properties of 1-cyclopentyl-2-(2-methoxy-5-nitrophenoxy)ethanone?
1-cyclopentyl-2-(2-methoxy-5-nitrophenoxy)ethanone has a molecular weight of 279.29 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(2-methoxy-5-nitrophenoxy)ethanone is sourced from PubChem (CID 115648605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).