5-chloro-2-propyl-1-benzofuran-3-one

C11H11ClO2 — CID 83049384

IUPAC5-chloro-2-propyl-1-benzofuran-3-one
SMILESCCCC1Oc2ccc(Cl)cc2C1=O
InChIInChI=1S/C11H11ClO2/c1-2-3-10-11(13)8-6-7(12)4-5-9(8)14-10/h4-6,10H,2-3H2,1H3
InChIKeyYZEZCFKFAOEZFW-UHFFFAOYSA-N
MW210.66 g/mol
LogP3.08
Rot. Bonds2

About 5-chloro-2-propyl-1-benzofuran-3-one

5-chloro-2-propyl-1-benzofuran-3-one (PubChem CID 83049384) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is 5-chloro-2-propyl-1-benzofuran-3-one.

Molecular Properties

Compound Name5-chloro-2-propyl-1-benzofuran-3-one
PubChem CID83049384
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name5-chloro-2-propyl-1-benzofuran-3-one
SMILESCCCC1Oc2ccc(Cl)cc2C1=O
InChIInChI=1S/C11H11ClO2/c1-2-3-10-11(13)8-6-7(12)4-5-9(8)14-10/h4-6,10H,2-3H2,1H3
InChIKeyYZEZCFKFAOEZFW-UHFFFAOYSA-N
XLogP3.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-propyl-1-benzofuran-3-one?
The IUPAC name of 5-chloro-2-propyl-1-benzofuran-3-one (CID 83049384) is 5-chloro-2-propyl-1-benzofuran-3-one.
What is the SMILES notation for 5-chloro-2-propyl-1-benzofuran-3-one?
The canonical SMILES for 5-chloro-2-propyl-1-benzofuran-3-one is CCCC1Oc2ccc(Cl)cc2C1=O.
What is the InChIKey of 5-chloro-2-propyl-1-benzofuran-3-one?
The InChIKey is YZEZCFKFAOEZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO2/c1-2-3-10-11(13)8-6-7(12)4-5-9(8)14-10/h4-6,10H,2-3H2,1H3.
What are the key properties of 5-chloro-2-propyl-1-benzofuran-3-one?
5-chloro-2-propyl-1-benzofuran-3-one has a molecular weight of 210.66 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-propyl-1-benzofuran-3-one is sourced from PubChem (CID 83049384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).