2-(2-chloro-4-nitrophenoxy)-1-(furan-2-yl)ethanone

C12H8ClNO5 — CID 60626106

IUPAC2-(2-chloro-4-nitrophenoxy)-1-(furan-2-yl)ethanone
SMILESO=C(COc1ccc([N+](=O)[O-])cc1Cl)c1ccco1
InChIInChI=1S/C12H8ClNO5/c13-9-6-8(14(16)17)3-4-11(9)19-7-10(15)12-2-1-5-18-12/h1-6H,7H2
InChIKeyRNIYZEZZFBBCLD-UHFFFAOYSA-N
MW281.65 g/mol
LogP3.10
Rot. Bonds5

About 2-(2-chloro-4-nitrophenoxy)-1-(furan-2-yl)ethanone

2-(2-chloro-4-nitrophenoxy)-1-(furan-2-yl)ethanone (PubChem CID 60626106) has the molecular formula C12H8ClNO5 and a molecular weight of 281.65 g/mol. Its IUPAC name is 2-(2-chloro-4-nitrophenoxy)-1-(furan-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-4-nitrophenoxy)-1-(furan-2-yl)ethanone
PubChem CID60626106
Molecular FormulaC12H8ClNO5
Molecular Weight281.65 g/mol
Exact Mass281.01
IUPAC Name2-(2-chloro-4-nitrophenoxy)-1-(furan-2-yl)ethanone
SMILESO=C(COc1ccc([N+](=O)[O-])cc1Cl)c1ccco1
InChIInChI=1S/C12H8ClNO5/c13-9-6-8(14(16)17)3-4-11(9)19-7-10(15)12-2-1-5-18-12/h1-6H,7H2
InChIKeyRNIYZEZZFBBCLD-UHFFFAOYSA-N
XLogP3.10
TPSA82.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.65
LogP ≤ 53.10
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

1-(furan-2-yl)-2-(2-methoxy-4-nitrophenoxy)ethanone
CID 62109954
2-(2-chloro-4-nitrophenoxy)-N-(furan-2-ylmethyl)acetamide
CID 7509255
1-(furan-2-yl)-2-(2-nitrophenoxy)ethanone
CID 60625939
1-(3-bromophenyl)-2-(2-chloro-4-nitrophenoxy)ethanone
CID 7873660
2-(2-chloro-4-nitrophenoxy)-1-(5-chlorothiophen-2-yl)ethanone
CID 2510894
(2-chloro-4-nitrophenyl)-(furan-2-yl)methanone
CID 18967626
2-(2-chloro-4-nitrophenoxy)-N-ethylacetamide
CID 18074297
2-(2-chloro-4-nitrophenoxy)-N-prop-2-enylacetamide
CID 3314376
2-[(2-chloro-4-nitrophenoxy)methyl]furan-3-carboxylic acid
CID 43394454
1-(2-chlorophenyl)-2-(2-methyl-4-nitrophenoxy)ethanone
CID 115766252
4-(2-chloro-4-nitrophenoxy)butan-2-one
CID 60666840
(Z)-3-chloro-4-(2-chloro-4-nitrophenoxy)but-2-en-1-amine
CID 42624284

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-nitrophenoxy)-1-(furan-2-yl)ethanone?
The IUPAC name of 2-(2-chloro-4-nitrophenoxy)-1-(furan-2-yl)ethanone (CID 60626106) is 2-(2-chloro-4-nitrophenoxy)-1-(furan-2-yl)ethanone.
What is the SMILES notation for 2-(2-chloro-4-nitrophenoxy)-1-(furan-2-yl)ethanone?
The canonical SMILES for 2-(2-chloro-4-nitrophenoxy)-1-(furan-2-yl)ethanone is O=C(COc1ccc([N+](=O)[O-])cc1Cl)c1ccco1.
What is the InChIKey of 2-(2-chloro-4-nitrophenoxy)-1-(furan-2-yl)ethanone?
The InChIKey is RNIYZEZZFBBCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO5/c13-9-6-8(14(16)17)3-4-11(9)19-7-10(15)12-2-1-5-18-12/h1-6H,7H2.
What are the key properties of 2-(2-chloro-4-nitrophenoxy)-1-(furan-2-yl)ethanone?
2-(2-chloro-4-nitrophenoxy)-1-(furan-2-yl)ethanone has a molecular weight of 281.65 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-nitrophenoxy)-1-(furan-2-yl)ethanone is sourced from PubChem (CID 60626106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).