2-(3-chlorophenyl)-1-(2-methyl-5-nitrophenyl)ethanone

C15H12ClNO3 — CID 62505296

IUPAC2-(3-chlorophenyl)-1-(2-methyl-5-nitrophenyl)ethanone
SMILESCc1ccc([N+](=O)[O-])cc1C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C15H12ClNO3/c1-10-5-6-13(17(19)20)9-14(10)15(18)8-11-3-2-4-12(16)7-11/h2-7,9H,8H2,1H3
InChIKeyPRHSQOUASKQANB-UHFFFAOYSA-N
MW289.72 g/mol
LogP3.98
Rot. Bonds4

About 2-(3-chlorophenyl)-1-(2-methyl-5-nitrophenyl)ethanone

2-(3-chlorophenyl)-1-(2-methyl-5-nitrophenyl)ethanone (PubChem CID 62505296) has the molecular formula C15H12ClNO3 and a molecular weight of 289.72 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(2-methyl-5-nitrophenyl)ethanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(2-methyl-5-nitrophenyl)ethanone
PubChem CID62505296
Molecular FormulaC15H12ClNO3
Molecular Weight289.72 g/mol
Exact Mass289.05
IUPAC Name2-(3-chlorophenyl)-1-(2-methyl-5-nitrophenyl)ethanone
SMILESCc1ccc([N+](=O)[O-])cc1C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C15H12ClNO3/c1-10-5-6-13(17(19)20)9-14(10)15(18)8-11-3-2-4-12(16)7-11/h2-7,9H,8H2,1H3
InChIKeyPRHSQOUASKQANB-UHFFFAOYSA-N
XLogP3.98
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2-chloro-5-nitrophenyl)-2-(3-chlorophenyl)ethanone
CID 148638353
2-(3-chlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanone
CID 62388067
2-(3-chlorophenyl)-1-(2-methylphenyl)ethanone
CID 60799246
2-(3-chlorophenyl)-1-(5-methyl-2-nitrophenyl)ethanone
CID 65462629
1-(2-methyl-5-nitrophenyl)-2-(3-methyl-2-pyridinyl)ethanone
CID 66447836
2-(3-chlorophenyl)-1-(2,5-difluoro-3-nitrophenyl)ethanone
CID 107122499
(2-methoxy-4-nitrophenyl) 2-(3-chlorophenyl)acetate
CID 15536453
N-[(3-chlorophenyl)methyl]-2-methyl-4-nitroaniline
CID 43425365
1-(5-chloro-2-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 114966354
2-methyl-N-[2-(3-methylphenyl)ethyl]-5-nitrobenzamide
CID 60611649
3-(3-chlorophenyl)-N-(2-methyl-4-nitrophenyl)propanamide
CID 19237296
1-(3-chloro-4-methylphenyl)-2-(3-chlorophenyl)ethanone
CID 63528907

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(2-methyl-5-nitrophenyl)ethanone?
The IUPAC name of 2-(3-chlorophenyl)-1-(2-methyl-5-nitrophenyl)ethanone (CID 62505296) is 2-(3-chlorophenyl)-1-(2-methyl-5-nitrophenyl)ethanone.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(2-methyl-5-nitrophenyl)ethanone?
The canonical SMILES for 2-(3-chlorophenyl)-1-(2-methyl-5-nitrophenyl)ethanone is Cc1ccc([N+](=O)[O-])cc1C(=O)Cc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1-(2-methyl-5-nitrophenyl)ethanone?
The InChIKey is PRHSQOUASKQANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO3/c1-10-5-6-13(17(19)20)9-14(10)15(18)8-11-3-2-4-12(16)7-11/h2-7,9H,8H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-1-(2-methyl-5-nitrophenyl)ethanone?
2-(3-chlorophenyl)-1-(2-methyl-5-nitrophenyl)ethanone has a molecular weight of 289.72 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(2-methyl-5-nitrophenyl)ethanone is sourced from PubChem (CID 62505296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).