1-(2,4-dichlorophenyl)(214C)ethanone

C8H6Cl2O — CID 10750217

IUPAC1-(2,4-dichlorophenyl)(214C)ethanone
SMILES[14CH3]C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C8H6Cl2O/c1-5(11)7-3-2-6(9)4-8(7)10/h2-4H,1H3/i1+2
InChIKeyXMCRWEBERCXJCH-NJFSPNSNSA-N
MW191.03 g/mol
LogP3.20
Rot. Bonds1

About 1-(2,4-dichlorophenyl)(214C)ethanone

1-(2,4-dichlorophenyl)(214C)ethanone (PubChem CID 10750217) has the molecular formula C8H6Cl2O and a molecular weight of 191.03 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)(214C)ethanone.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)(214C)ethanone
PubChem CID10750217
Molecular FormulaC8H6Cl2O
Molecular Weight191.03 g/mol
Exact Mass189.98
IUPAC Name1-(2,4-dichlorophenyl)(214C)ethanone
SMILES[14CH3]C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C8H6Cl2O/c1-5(11)7-3-2-6(9)4-8(7)10/h2-4H,1H3/i1+2
InChIKeyXMCRWEBERCXJCH-NJFSPNSNSA-N
XLogP3.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.03
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(2,4-dichlorophenyl)-(3,4,5-trifluorophenyl)methanone
CID 63187591
(2,4-dichlorophenyl)-(2,4-difluorophenyl)methanone
CID 43159987
(2,4-dichlorophenyl)-(3,4-difluorophenyl)methanone
CID 43338229
2,4-dichloro-N-methylidenebenzamide
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2-chloro-1-(2,4-dichlorophenyl)-2,2-difluoroethanone
CID 130477601
(3-chloro-2-fluorophenyl)-(2,4-dichlorophenyl)methanone
CID 81265376
(2,4-dichlorophenyl)-(4-hydroxyphenyl)methanone
CID 13453357
3-(2,4-dichlorophenyl)-3-oxopropanal
CID 10889333
3-(2,4-dichlorophenyl)-2-methyl-3-oxopropanoic acid
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(2,4-dichlorophenyl)-(3-fluorophenyl)methanone
CID 61271846

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)(214C)ethanone?
The IUPAC name of 1-(2,4-dichlorophenyl)(214C)ethanone (CID 10750217) is 1-(2,4-dichlorophenyl)(214C)ethanone.
What is the SMILES notation for 1-(2,4-dichlorophenyl)(214C)ethanone?
The canonical SMILES for 1-(2,4-dichlorophenyl)(214C)ethanone is [14CH3]C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)(214C)ethanone?
The InChIKey is XMCRWEBERCXJCH-NJFSPNSNSA-N. The full InChI is InChI=1S/C8H6Cl2O/c1-5(11)7-3-2-6(9)4-8(7)10/h2-4H,1H3/i1+2.
What are the key properties of 1-(2,4-dichlorophenyl)(214C)ethanone?
1-(2,4-dichlorophenyl)(214C)ethanone has a molecular weight of 191.03 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)(214C)ethanone is sourced from PubChem (CID 10750217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).