2-(5-chloro-2-hydroxyphenyl)-1-(4-nitrophenyl)ethanone

C14H10ClNO4 — CID 157380629

IUPAC2-(5-chloro-2-hydroxyphenyl)-1-(4-nitrophenyl)ethanone
SMILESO=C(Cc1cc(Cl)ccc1O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H10ClNO4/c15-11-3-6-13(17)10(7-11)8-14(18)9-1-4-12(5-2-9)16(19)20/h1-7,17H,8H2
InChIKeyBKVMTJGUOYVTBV-UHFFFAOYSA-N
MW291.69 g/mol
LogP3.38
Rot. Bonds4

About 2-(5-chloro-2-hydroxyphenyl)-1-(4-nitrophenyl)ethanone

2-(5-chloro-2-hydroxyphenyl)-1-(4-nitrophenyl)ethanone (PubChem CID 157380629) has the molecular formula C14H10ClNO4 and a molecular weight of 291.69 g/mol. Its IUPAC name is 2-(5-chloro-2-hydroxyphenyl)-1-(4-nitrophenyl)ethanone.

Molecular Properties

Compound Name2-(5-chloro-2-hydroxyphenyl)-1-(4-nitrophenyl)ethanone
PubChem CID157380629
Molecular FormulaC14H10ClNO4
Molecular Weight291.69 g/mol
Exact Mass291.03
IUPAC Name2-(5-chloro-2-hydroxyphenyl)-1-(4-nitrophenyl)ethanone
SMILESO=C(Cc1cc(Cl)ccc1O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H10ClNO4/c15-11-3-6-13(17)10(7-11)8-14(18)9-1-4-12(5-2-9)16(19)20/h1-7,17H,8H2
InChIKeyBKVMTJGUOYVTBV-UHFFFAOYSA-N
XLogP3.38
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 53.38
H-Bond Donors ≤ 51
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'}

Analyze 2-(5-chloro-2-hydroxyphenyl)-1-(4-nitrophenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methylphenyl)-1-(4-nitrophenyl)ethanone
CID 61077720
1-(2-hydroxy-5-methylphenyl)-3-(4-nitrophenyl)propane-1,3-dione
CID 10566042
1-(4-nitrophenyl)-2-[4-[4-[2-(4-nitrophenyl)-2-oxoethyl]phenyl]phenyl]ethanone
CID 159718467
2-(hydroxymethyl)-4-nitrophenol;propane
CID 142101153
2-(2-chloro-6-nitroacridin-9-yl)sulfanyl-1-(4-nitrophenyl)ethanone
CID 3077591
2-(2,4-dichlorophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 112771738
2-(2-methoxyphenyl)-1-(4-nitrophenyl)ethanone
CID 61079159
2-(3,5-dichlorophenoxy)-1-(4-nitrophenyl)ethanone
CID 60623975
2-(4-chlorophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 4639208
5-chloro-2-hydroxy-N-methyl-N-(4-nitrophenyl)benzamide
CID 141401921
(2-hydroxy-5-nitrophenyl)methylphosphanium bromide
CID 158775878
2-(aminomethyl)-4-nitrophenol
CID 2115073

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-hydroxyphenyl)-1-(4-nitrophenyl)ethanone?
The IUPAC name of 2-(5-chloro-2-hydroxyphenyl)-1-(4-nitrophenyl)ethanone (CID 157380629) is 2-(5-chloro-2-hydroxyphenyl)-1-(4-nitrophenyl)ethanone.
What is the SMILES notation for 2-(5-chloro-2-hydroxyphenyl)-1-(4-nitrophenyl)ethanone?
The canonical SMILES for 2-(5-chloro-2-hydroxyphenyl)-1-(4-nitrophenyl)ethanone is O=C(Cc1cc(Cl)ccc1O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(5-chloro-2-hydroxyphenyl)-1-(4-nitrophenyl)ethanone?
The InChIKey is BKVMTJGUOYVTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO4/c15-11-3-6-13(17)10(7-11)8-14(18)9-1-4-12(5-2-9)16(19)20/h1-7,17H,8H2.
What are the key properties of 2-(5-chloro-2-hydroxyphenyl)-1-(4-nitrophenyl)ethanone?
2-(5-chloro-2-hydroxyphenyl)-1-(4-nitrophenyl)ethanone has a molecular weight of 291.69 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-hydroxyphenyl)-1-(4-nitrophenyl)ethanone is sourced from PubChem (CID 157380629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).