7-chloro-4-propyl-2,3-dihydro-1-benzofuran

C11H13ClO — CID 168905043

IUPAC7-chloro-4-propyl-2,3-dihydro-1-benzofuran
SMILESCCCc1ccc(Cl)c2c1CCO2
InChIInChI=1S/C11H13ClO/c1-2-3-8-4-5-10(12)11-9(8)6-7-13-11/h4-5H,2-3,6-7H2,1H3
InChIKeyOPVVQEHIHIXYOK-UHFFFAOYSA-N
MW196.68 g/mol
LogP3.23
Rot. Bonds2

About 7-chloro-4-propyl-2,3-dihydro-1-benzofuran

7-chloro-4-propyl-2,3-dihydro-1-benzofuran (PubChem CID 168905043) has the molecular formula C11H13ClO and a molecular weight of 196.68 g/mol. Its IUPAC name is 7-chloro-4-propyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name7-chloro-4-propyl-2,3-dihydro-1-benzofuran
PubChem CID168905043
Molecular FormulaC11H13ClO
Molecular Weight196.68 g/mol
Exact Mass196.07
IUPAC Name7-chloro-4-propyl-2,3-dihydro-1-benzofuran
SMILESCCCc1ccc(Cl)c2c1CCO2
InChIInChI=1S/C11H13ClO/c1-2-3-8-4-5-10(12)11-9(8)6-7-13-11/h4-5H,2-3,6-7H2,1H3
InChIKeyOPVVQEHIHIXYOK-UHFFFAOYSA-N
XLogP3.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-propyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 7-chloro-4-propyl-2,3-dihydro-1-benzofuran (CID 168905043) is 7-chloro-4-propyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 7-chloro-4-propyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 7-chloro-4-propyl-2,3-dihydro-1-benzofuran is CCCc1ccc(Cl)c2c1CCO2.
What is the InChIKey of 7-chloro-4-propyl-2,3-dihydro-1-benzofuran?
The InChIKey is OPVVQEHIHIXYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO/c1-2-3-8-4-5-10(12)11-9(8)6-7-13-11/h4-5H,2-3,6-7H2,1H3.
What are the key properties of 7-chloro-4-propyl-2,3-dihydro-1-benzofuran?
7-chloro-4-propyl-2,3-dihydro-1-benzofuran has a molecular weight of 196.68 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-propyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 168905043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).