7-chloro-4-prop-2-enyl-1-benzofuran

C11H9ClO — CID 140997088

IUPAC7-chloro-4-prop-2-enyl-1-benzofuran
SMILESC=CCc1ccc(Cl)c2occc12
InChIInChI=1S/C11H9ClO/c1-2-3-8-4-5-10(12)11-9(8)6-7-13-11/h2,4-7H,1,3H2
InChIKeySTKOZHWLIKXUFG-UHFFFAOYSA-N
MW192.64 g/mol
LogP3.81
Rot. Bonds2

About 7-chloro-4-prop-2-enyl-1-benzofuran

7-chloro-4-prop-2-enyl-1-benzofuran (PubChem CID 140997088) has the molecular formula C11H9ClO and a molecular weight of 192.64 g/mol. Its IUPAC name is 7-chloro-4-prop-2-enyl-1-benzofuran.

Molecular Properties

Compound Name7-chloro-4-prop-2-enyl-1-benzofuran
PubChem CID140997088
Molecular FormulaC11H9ClO
Molecular Weight192.64 g/mol
Exact Mass192.03
IUPAC Name7-chloro-4-prop-2-enyl-1-benzofuran
SMILESC=CCc1ccc(Cl)c2occc12
InChIInChI=1S/C11H9ClO/c1-2-3-8-4-5-10(12)11-9(8)6-7-13-11/h2,4-7H,1,3H2
InChIKeySTKOZHWLIKXUFG-UHFFFAOYSA-N
XLogP3.81
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.64
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-prop-2-enyl-1-benzofuran?
The IUPAC name of 7-chloro-4-prop-2-enyl-1-benzofuran (CID 140997088) is 7-chloro-4-prop-2-enyl-1-benzofuran.
What is the SMILES notation for 7-chloro-4-prop-2-enyl-1-benzofuran?
The canonical SMILES for 7-chloro-4-prop-2-enyl-1-benzofuran is C=CCc1ccc(Cl)c2occc12.
What is the InChIKey of 7-chloro-4-prop-2-enyl-1-benzofuran?
The InChIKey is STKOZHWLIKXUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO/c1-2-3-8-4-5-10(12)11-9(8)6-7-13-11/h2,4-7H,1,3H2.
What are the key properties of 7-chloro-4-prop-2-enyl-1-benzofuran?
7-chloro-4-prop-2-enyl-1-benzofuran has a molecular weight of 192.64 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-prop-2-enyl-1-benzofuran is sourced from PubChem (CID 140997088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).