(4-chlorophenyl)-(5,7-dichloro-3-methyl-1-benzofuran-2-yl)methanone

C16H9Cl3O2 — CID 2797713

IUPAC(4-chlorophenyl)-(5,7-dichloro-3-methyl-1-benzofuran-2-yl)methanone
SMILESCc1c(C(=O)c2ccc(Cl)cc2)oc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C16H9Cl3O2/c1-8-12-6-11(18)7-13(19)16(12)21-15(8)14(20)9-2-4-10(17)5-3-9/h2-7H,1H3
InChIKeyHXKSKTVLUAVGHJ-UHFFFAOYSA-N
MW339.61 g/mol
LogP5.93
Rot. Bonds2

About (4-chlorophenyl)-(5,7-dichloro-3-methyl-1-benzofuran-2-yl)methanone

(4-chlorophenyl)-(5,7-dichloro-3-methyl-1-benzofuran-2-yl)methanone (PubChem CID 2797713) has the molecular formula C16H9Cl3O2 and a molecular weight of 339.61 g/mol. Its IUPAC name is (4-chlorophenyl)-(5,7-dichloro-3-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(5,7-dichloro-3-methyl-1-benzofuran-2-yl)methanone
PubChem CID2797713
Molecular FormulaC16H9Cl3O2
Molecular Weight339.61 g/mol
Exact Mass337.97
IUPAC Name(4-chlorophenyl)-(5,7-dichloro-3-methyl-1-benzofuran-2-yl)methanone
SMILESCc1c(C(=O)c2ccc(Cl)cc2)oc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C16H9Cl3O2/c1-8-12-6-11(18)7-13(19)16(12)21-15(8)14(20)9-2-4-10(17)5-3-9/h2-7H,1H3
InChIKeyHXKSKTVLUAVGHJ-UHFFFAOYSA-N
XLogP5.93
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.61
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(5,7-dichloro-3-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(5,7-dichloro-3-methyl-1-benzofuran-2-yl)methanone (CID 2797713) is (4-chlorophenyl)-(5,7-dichloro-3-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(5,7-dichloro-3-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(5,7-dichloro-3-methyl-1-benzofuran-2-yl)methanone is Cc1c(C(=O)c2ccc(Cl)cc2)oc2c(Cl)cc(Cl)cc12.
What is the InChIKey of (4-chlorophenyl)-(5,7-dichloro-3-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is HXKSKTVLUAVGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl3O2/c1-8-12-6-11(18)7-13(19)16(12)21-15(8)14(20)9-2-4-10(17)5-3-9/h2-7H,1H3.
What are the key properties of (4-chlorophenyl)-(5,7-dichloro-3-methyl-1-benzofuran-2-yl)methanone?
(4-chlorophenyl)-(5,7-dichloro-3-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 339.61 g/mol, XLogP of 5.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(5,7-dichloro-3-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 2797713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).