(3,4-dichlorophenyl)-(3,6-dimethyl-1-benzofuran-2-yl)methanone

C17H12Cl2O2 — CID 60706257

IUPAC(3,4-dichlorophenyl)-(3,6-dimethyl-1-benzofuran-2-yl)methanone
SMILESCc1ccc2c(C)c(C(=O)c3ccc(Cl)c(Cl)c3)oc2c1
InChIInChI=1S/C17H12Cl2O2/c1-9-3-5-12-10(2)17(21-15(12)7-9)16(20)11-4-6-13(18)14(19)8-11/h3-8H,1-2H3
InChIKeyAMHDIOFXIYFOAV-UHFFFAOYSA-N
MW319.19 g/mol
LogP5.59
Rot. Bonds2

About (3,4-dichlorophenyl)-(3,6-dimethyl-1-benzofuran-2-yl)methanone

(3,4-dichlorophenyl)-(3,6-dimethyl-1-benzofuran-2-yl)methanone (PubChem CID 60706257) has the molecular formula C17H12Cl2O2 and a molecular weight of 319.19 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(3,6-dimethyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(3,6-dimethyl-1-benzofuran-2-yl)methanone
PubChem CID60706257
Molecular FormulaC17H12Cl2O2
Molecular Weight319.19 g/mol
Exact Mass318.02
IUPAC Name(3,4-dichlorophenyl)-(3,6-dimethyl-1-benzofuran-2-yl)methanone
SMILESCc1ccc2c(C)c(C(=O)c3ccc(Cl)c(Cl)c3)oc2c1
InChIInChI=1S/C17H12Cl2O2/c1-9-3-5-12-10(2)17(21-15(12)7-9)16(20)11-4-6-13(18)14(19)8-11/h3-8H,1-2H3
InChIKeyAMHDIOFXIYFOAV-UHFFFAOYSA-N
XLogP5.59
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.19
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-3-methyl-1-benzofuran-2-yl)-(3,4-dichlorophenyl)methanone
CID 2767305
(6-bromo-3-methyl-1-benzofuran-2-yl)-(4-methylphenyl)methanone
CID 102949358
N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]acetamide
CID 19959494
methyl 3,6-dimethyl-1-benzofuran-2-carboxylate
CID 2144725
1-(3,6-dimethyl-1-benzofuran-2-yl)-2-methylpropan-1-one
CID 63638930
(3,4-dichlorophenyl)-(1,6-dimethylindol-3-yl)methanone
CID 116546949
(3-chloro-4-fluorophenyl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone
CID 63549321
(3,4-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 43625949
(3,6-dimethyl-1-benzofuran-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 63639101
(6-bromo-3-methyl-1-benzofuran-2-yl)-(3-chlorophenyl)methanone
CID 102949391
(3,4-dichlorophenyl)-(3,5-dimethylphenyl)methanone
CID 2758091
3,6-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide
CID 2219584

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(3,6-dimethyl-1-benzofuran-2-yl)methanone?
The IUPAC name of (3,4-dichlorophenyl)-(3,6-dimethyl-1-benzofuran-2-yl)methanone (CID 60706257) is (3,4-dichlorophenyl)-(3,6-dimethyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-(3,6-dimethyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for (3,4-dichlorophenyl)-(3,6-dimethyl-1-benzofuran-2-yl)methanone is Cc1ccc2c(C)c(C(=O)c3ccc(Cl)c(Cl)c3)oc2c1.
What is the InChIKey of (3,4-dichlorophenyl)-(3,6-dimethyl-1-benzofuran-2-yl)methanone?
The InChIKey is AMHDIOFXIYFOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2O2/c1-9-3-5-12-10(2)17(21-15(12)7-9)16(20)11-4-6-13(18)14(19)8-11/h3-8H,1-2H3.
What are the key properties of (3,4-dichlorophenyl)-(3,6-dimethyl-1-benzofuran-2-yl)methanone?
(3,4-dichlorophenyl)-(3,6-dimethyl-1-benzofuran-2-yl)methanone has a molecular weight of 319.19 g/mol, XLogP of 5.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(3,6-dimethyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 60706257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).