1-(3-bromophenyl)-2-(2-chloro-4-nitrophenoxy)ethanone

C14H9BrClNO4 — CID 7873660

IUPAC1-(3-bromophenyl)-2-(2-chloro-4-nitrophenoxy)ethanone
SMILESO=C(COc1ccc([N+](=O)[O-])cc1Cl)c1cccc(Br)c1
InChIInChI=1S/C14H9BrClNO4/c15-10-3-1-2-9(6-10)13(18)8-21-14-5-4-11(17(19)20)7-12(14)16/h1-7H,8H2
InChIKeyYPLUZSWYTYSCDG-UHFFFAOYSA-N
MW370.59 g/mol
LogP4.27
Rot. Bonds5

About 1-(3-bromophenyl)-2-(2-chloro-4-nitrophenoxy)ethanone

1-(3-bromophenyl)-2-(2-chloro-4-nitrophenoxy)ethanone (PubChem CID 7873660) has the molecular formula C14H9BrClNO4 and a molecular weight of 370.59 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(2-chloro-4-nitrophenoxy)ethanone.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(2-chloro-4-nitrophenoxy)ethanone
PubChem CID7873660
Molecular FormulaC14H9BrClNO4
Molecular Weight370.59 g/mol
Exact Mass368.94
IUPAC Name1-(3-bromophenyl)-2-(2-chloro-4-nitrophenoxy)ethanone
SMILESO=C(COc1ccc([N+](=O)[O-])cc1Cl)c1cccc(Br)c1
InChIInChI=1S/C14H9BrClNO4/c15-10-3-1-2-9(6-10)13(18)8-21-14-5-4-11(17(19)20)7-12(14)16/h1-7H,8H2
InChIKeyYPLUZSWYTYSCDG-UHFFFAOYSA-N
XLogP4.27
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.59
LogP ≤ 54.27
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

2-(4-bromo-2-chlorophenoxy)-1-(3-bromophenyl)ethanone
CID 7809726
1-(3-bromophenyl)-2-(2-chlorophenoxy)ethanone
CID 60625595
4-[2-(3-bromophenyl)-2-oxoethoxy]-3-chlorobenzaldehyde
CID 62033108
1-(3-bromophenyl)-2-(2-nitrophenoxy)ethanone
CID 7503868
(2-chloro-4-nitrophenyl) 2-(3-bromophenoxy)acetate
CID 8881641
2-(2-chloro-5-methylphenoxy)-1-(3-nitrophenyl)ethanone
CID 60699162
N-(3-acetylphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide
CID 2513244
2-(2-chloro-4-nitrophenoxy)-1-(furan-2-yl)ethanone
CID 60626106
2-(2-chloro-4-nitrophenoxy)-1-(5-chlorothiophen-2-yl)ethanone
CID 2510894
(E)-1-(3-bromophenyl)-3-[3-[(2-chloro-4-nitrophenoxy)methyl]-4-methoxyphenyl]prop-2-en-1-one
CID 19551044
2-(2-chloro-4-nitrophenoxy)-N-ethylacetamide
CID 18074297
2-(3,4-dichlorophenoxy)-1-(3-nitrophenyl)ethanone
CID 18184732

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(2-chloro-4-nitrophenoxy)ethanone?
The IUPAC name of 1-(3-bromophenyl)-2-(2-chloro-4-nitrophenoxy)ethanone (CID 7873660) is 1-(3-bromophenyl)-2-(2-chloro-4-nitrophenoxy)ethanone.
What is the SMILES notation for 1-(3-bromophenyl)-2-(2-chloro-4-nitrophenoxy)ethanone?
The canonical SMILES for 1-(3-bromophenyl)-2-(2-chloro-4-nitrophenoxy)ethanone is O=C(COc1ccc([N+](=O)[O-])cc1Cl)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-(2-chloro-4-nitrophenoxy)ethanone?
The InChIKey is YPLUZSWYTYSCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClNO4/c15-10-3-1-2-9(6-10)13(18)8-21-14-5-4-11(17(19)20)7-12(14)16/h1-7H,8H2.
What are the key properties of 1-(3-bromophenyl)-2-(2-chloro-4-nitrophenoxy)ethanone?
1-(3-bromophenyl)-2-(2-chloro-4-nitrophenoxy)ethanone has a molecular weight of 370.59 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(2-chloro-4-nitrophenoxy)ethanone is sourced from PubChem (CID 7873660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).