6,7-dichloro-2-propyl-1-benzofuran-3-one

C11H10Cl2O2 — CID 83050001

IUPAC6,7-dichloro-2-propyl-1-benzofuran-3-one
SMILESCCCC1Oc2c(ccc(Cl)c2Cl)C1=O
InChIInChI=1S/C11H10Cl2O2/c1-2-3-8-10(14)6-4-5-7(12)9(13)11(6)15-8/h4-5,8H,2-3H2,1H3
InChIKeyMVTZDPJXEQZCQU-UHFFFAOYSA-N
MW245.10 g/mol
LogP3.74
Rot. Bonds2

About 6,7-dichloro-2-propyl-1-benzofuran-3-one

6,7-dichloro-2-propyl-1-benzofuran-3-one (PubChem CID 83050001) has the molecular formula C11H10Cl2O2 and a molecular weight of 245.10 g/mol. Its IUPAC name is 6,7-dichloro-2-propyl-1-benzofuran-3-one.

Molecular Properties

Compound Name6,7-dichloro-2-propyl-1-benzofuran-3-one
PubChem CID83050001
Molecular FormulaC11H10Cl2O2
Molecular Weight245.10 g/mol
Exact Mass244.01
IUPAC Name6,7-dichloro-2-propyl-1-benzofuran-3-one
SMILESCCCC1Oc2c(ccc(Cl)c2Cl)C1=O
InChIInChI=1S/C11H10Cl2O2/c1-2-3-8-10(14)6-4-5-7(12)9(13)11(6)15-8/h4-5,8H,2-3H2,1H3
InChIKeyMVTZDPJXEQZCQU-UHFFFAOYSA-N
XLogP3.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.10
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-2-propyl-1-benzofuran-3-one?
The IUPAC name of 6,7-dichloro-2-propyl-1-benzofuran-3-one (CID 83050001) is 6,7-dichloro-2-propyl-1-benzofuran-3-one.
What is the SMILES notation for 6,7-dichloro-2-propyl-1-benzofuran-3-one?
The canonical SMILES for 6,7-dichloro-2-propyl-1-benzofuran-3-one is CCCC1Oc2c(ccc(Cl)c2Cl)C1=O.
What is the InChIKey of 6,7-dichloro-2-propyl-1-benzofuran-3-one?
The InChIKey is MVTZDPJXEQZCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2O2/c1-2-3-8-10(14)6-4-5-7(12)9(13)11(6)15-8/h4-5,8H,2-3H2,1H3.
What are the key properties of 6,7-dichloro-2-propyl-1-benzofuran-3-one?
6,7-dichloro-2-propyl-1-benzofuran-3-one has a molecular weight of 245.10 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-2-propyl-1-benzofuran-3-one is sourced from PubChem (CID 83050001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).