1-[4-(2-chlorophenoxy)-3-nitrophenyl]ethanone

C14H10ClNO4 — CID 9212979

IUPAC1-[4-(2-chlorophenoxy)-3-nitrophenyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C14H10ClNO4/c1-9(17)10-6-7-14(12(8-10)16(18)19)20-13-5-3-2-4-11(13)15/h2-8H,1H3
InChIKeyHSYCGPQRUODKSB-UHFFFAOYSA-N
MW291.69 g/mol
LogP4.24
Rot. Bonds4

About 1-[4-(2-chlorophenoxy)-3-nitrophenyl]ethanone

1-[4-(2-chlorophenoxy)-3-nitrophenyl]ethanone (PubChem CID 9212979) has the molecular formula C14H10ClNO4 and a molecular weight of 291.69 g/mol. Its IUPAC name is 1-[4-(2-chlorophenoxy)-3-nitrophenyl]ethanone.

Molecular Properties

Compound Name1-[4-(2-chlorophenoxy)-3-nitrophenyl]ethanone
PubChem CID9212979
Molecular FormulaC14H10ClNO4
Molecular Weight291.69 g/mol
Exact Mass291.03
IUPAC Name1-[4-(2-chlorophenoxy)-3-nitrophenyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C14H10ClNO4/c1-9(17)10-6-7-14(12(8-10)16(18)19)20-13-5-3-2-4-11(13)15/h2-8H,1H3
InChIKeyHSYCGPQRUODKSB-UHFFFAOYSA-N
XLogP4.24
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[3-nitro-4-(2-nitrophenoxy)phenyl]ethanone
CID 9279079
1-[4-(2-ethylphenoxy)-3-nitrophenyl]ethanone
CID 9282374
2-(4-acetyl-2-nitrophenoxy)benzamide
CID 9251324
1-[4-(4-acetyl-2-methoxyphenoxy)-3-nitrophenyl]ethanone
CID 9112488
1-[3-chloro-4-(5-chloro-2-nitrophenoxy)phenyl]ethanone
CID 62908717
1-[3-bromo-4-(2-chlorophenoxy)phenyl]ethanone
CID 62908154
1-[3-chloro-4-(2-chloro-5-nitrophenoxy)phenyl]ethanone
CID 63991975
4-(4-acetyl-2-nitrophenoxy)-3-nitrobenzenesulfonamide
CID 33381315
1-[3-fluoro-4-(4-fluoro-2-nitrophenoxy)phenyl]ethanone
CID 62368694
1-[4-(4-methylphenoxy)-3-nitrophenyl]ethanone
CID 9213139
4-(2-chloro-4-fluorophenoxy)-3-nitrobenzoic acid
CID 45444223
1-[4-(3-iodophenoxy)-3-nitrophenyl]ethanone
CID 9112145

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chlorophenoxy)-3-nitrophenyl]ethanone?
The IUPAC name of 1-[4-(2-chlorophenoxy)-3-nitrophenyl]ethanone (CID 9212979) is 1-[4-(2-chlorophenoxy)-3-nitrophenyl]ethanone.
What is the SMILES notation for 1-[4-(2-chlorophenoxy)-3-nitrophenyl]ethanone?
The canonical SMILES for 1-[4-(2-chlorophenoxy)-3-nitrophenyl]ethanone is CC(=O)c1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 1-[4-(2-chlorophenoxy)-3-nitrophenyl]ethanone?
The InChIKey is HSYCGPQRUODKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO4/c1-9(17)10-6-7-14(12(8-10)16(18)19)20-13-5-3-2-4-11(13)15/h2-8H,1H3.
What are the key properties of 1-[4-(2-chlorophenoxy)-3-nitrophenyl]ethanone?
1-[4-(2-chlorophenoxy)-3-nitrophenyl]ethanone has a molecular weight of 291.69 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chlorophenoxy)-3-nitrophenyl]ethanone is sourced from PubChem (CID 9212979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).