2-(2,5-dichlorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanone

C17H12Cl2O2 — CID 105102492

IUPAC2-(2,5-dichlorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanone
SMILESCc1ccc2oc(C(=O)Cc3cc(Cl)ccc3Cl)cc2c1
InChIInChI=1S/C17H12Cl2O2/c1-10-2-5-16-12(6-10)9-17(21-16)15(20)8-11-7-13(18)3-4-14(11)19/h2-7,9H,8H2,1H3
InChIKeyZNWCFGYBMQEEKR-UHFFFAOYSA-N
MW319.19 g/mol
LogP5.47
Rot. Bonds3

About 2-(2,5-dichlorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanone

2-(2,5-dichlorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanone (PubChem CID 105102492) has the molecular formula C17H12Cl2O2 and a molecular weight of 319.19 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanone
PubChem CID105102492
Molecular FormulaC17H12Cl2O2
Molecular Weight319.19 g/mol
Exact Mass318.02
IUPAC Name2-(2,5-dichlorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanone
SMILESCc1ccc2oc(C(=O)Cc3cc(Cl)ccc3Cl)cc2c1
InChIInChI=1S/C17H12Cl2O2/c1-10-2-5-16-12(6-10)9-17(21-16)15(20)8-11-7-13(18)3-4-14(11)19/h2-7,9H,8H2,1H3
InChIKeyZNWCFGYBMQEEKR-UHFFFAOYSA-N
XLogP5.47
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.19
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-1-benzofuran-2-yl)propan-1-one
CID 65425941
1-(5-methyl-1-benzofuran-2-yl)-2-(5-methyl-2-pyridinyl)ethanone
CID 66448685
2-(4-bromothiophen-2-yl)-1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 105092387
1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 15549614
1-(2-bromo-4-methylphenyl)-2-(2,5-dichlorophenyl)ethanone
CID 114973882
1-(5-methyl-1-benzofuran-2-yl)hexan-1-one
CID 115808102
2-(5-bromo-3-pyridinyl)-1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 105128836
4-amino-1-(5-chloro-1-benzofuran-2-yl)butan-1-one
CID 114736251
5-chloro-1-benzofuran-2-carboxylate
CID 6956015
1-(5-methyl-1-benzofuran-2-yl)-2-(propylamino)ethanone
CID 114736423
3-methyl-1-(5-methyl-1-benzofuran-2-yl)pentan-1-one
CID 115808089
(2-bromo-5-methylphenyl)-(5-chloro-1-benzofuran-2-yl)methanone
CID 115808561

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanone?
The IUPAC name of 2-(2,5-dichlorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanone (CID 105102492) is 2-(2,5-dichlorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanone?
The canonical SMILES for 2-(2,5-dichlorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanone is Cc1ccc2oc(C(=O)Cc3cc(Cl)ccc3Cl)cc2c1.
What is the InChIKey of 2-(2,5-dichlorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanone?
The InChIKey is ZNWCFGYBMQEEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2O2/c1-10-2-5-16-12(6-10)9-17(21-16)15(20)8-11-7-13(18)3-4-14(11)19/h2-7,9H,8H2,1H3.
What are the key properties of 2-(2,5-dichlorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanone?
2-(2,5-dichlorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanone has a molecular weight of 319.19 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 105102492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).