2-(3-chlorophenyl)-1-(4-methoxy-3-nitrophenyl)ethanone

C15H12ClNO4 — CID 62505653

IUPAC2-(3-chlorophenyl)-1-(4-methoxy-3-nitrophenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2cccc(Cl)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H12ClNO4/c1-21-15-6-5-11(9-13(15)17(19)20)14(18)8-10-3-2-4-12(16)7-10/h2-7,9H,8H2,1H3
InChIKeyBXHZLCIEEIIVAH-UHFFFAOYSA-N
MW305.72 g/mol
LogP3.68
Rot. Bonds5

About 2-(3-chlorophenyl)-1-(4-methoxy-3-nitrophenyl)ethanone

2-(3-chlorophenyl)-1-(4-methoxy-3-nitrophenyl)ethanone (PubChem CID 62505653) has the molecular formula C15H12ClNO4 and a molecular weight of 305.72 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(4-methoxy-3-nitrophenyl)ethanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(4-methoxy-3-nitrophenyl)ethanone
PubChem CID62505653
Molecular FormulaC15H12ClNO4
Molecular Weight305.72 g/mol
Exact Mass305.05
IUPAC Name2-(3-chlorophenyl)-1-(4-methoxy-3-nitrophenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2cccc(Cl)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H12ClNO4/c1-21-15-6-5-11(9-13(15)17(19)20)14(18)8-10-3-2-4-12(16)7-10/h2-7,9H,8H2,1H3
InChIKeyBXHZLCIEEIIVAH-UHFFFAOYSA-N
XLogP3.68
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 53.68
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

N-[2-(3-chlorophenyl)ethyl]-4-methoxy-3-nitrobenzamide
CID 27838571
2-(2-chlorophenyl)-1-(4-methoxy-3-nitrophenyl)ethanone
CID 61056876
N-[(3-chlorophenyl)-(4-methoxy-3-nitrophenyl)methylidene]hydroxylamine
CID 5073130
3-bromo-1-(4-methoxy-3-nitrophenyl)propan-1-one
CID 82136360
2-(2-fluorophenyl)-1-(4-methoxy-3-nitrophenyl)ethanone
CID 61077891
2-amino-1-(4-methoxy-3-nitrophenyl)ethanone
CID 7176072
1-[(3-chlorophenyl)methyl]-3-hydroxy-3-[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]indol-2-one
CID 66523117
1,2-bis(4-methoxy-3-nitrophenyl)ethane-1,2-dione
CID 3126152
2-(3,4-dichlorophenyl)-1-(4-ethoxy-3-nitrophenyl)ethanone
CID 162090290
(2-methoxy-4-nitrophenyl) 2-(3-chlorophenyl)acetate
CID 15536453
[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-methoxy-3-nitrobenzoate
CID 4856781
2-(3-chlorophenyl)-1-(5-methyl-2-nitrophenyl)ethanone
CID 65462629

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(4-methoxy-3-nitrophenyl)ethanone?
The IUPAC name of 2-(3-chlorophenyl)-1-(4-methoxy-3-nitrophenyl)ethanone (CID 62505653) is 2-(3-chlorophenyl)-1-(4-methoxy-3-nitrophenyl)ethanone.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(4-methoxy-3-nitrophenyl)ethanone?
The canonical SMILES for 2-(3-chlorophenyl)-1-(4-methoxy-3-nitrophenyl)ethanone is COc1ccc(C(=O)Cc2cccc(Cl)c2)cc1[N+](=O)[O-].
What is the InChIKey of 2-(3-chlorophenyl)-1-(4-methoxy-3-nitrophenyl)ethanone?
The InChIKey is BXHZLCIEEIIVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO4/c1-21-15-6-5-11(9-13(15)17(19)20)14(18)8-10-3-2-4-12(16)7-10/h2-7,9H,8H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-1-(4-methoxy-3-nitrophenyl)ethanone?
2-(3-chlorophenyl)-1-(4-methoxy-3-nitrophenyl)ethanone has a molecular weight of 305.72 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(4-methoxy-3-nitrophenyl)ethanone is sourced from PubChem (CID 62505653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).