5-chloro-2,3-dihydro-1-benzofuran

C8H7ClO — CID 592964

IUPAC5-chloro-2,3-dihydro-1-benzofuran
SMILESClc1ccc2c(c1)CCO2
InChIInChI=1S/C8H7ClO/c9-7-1-2-8-6(5-7)3-4-10-8/h1-2,5H,3-4H2
InChIKeyPEYYQHYMRUDUOH-UHFFFAOYSA-N
MW154.60 g/mol
LogP2.27
Rot. Bonds

About 5-chloro-2,3-dihydro-1-benzofuran

5-chloro-2,3-dihydro-1-benzofuran (PubChem CID 592964) has the molecular formula C8H7ClO and a molecular weight of 154.60 g/mol. Its IUPAC name is 5-chloro-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-chloro-2,3-dihydro-1-benzofuran
PubChem CID592964
Molecular FormulaC8H7ClO
Molecular Weight154.60 g/mol
Exact Mass154.02
IUPAC Name5-chloro-2,3-dihydro-1-benzofuran
SMILESClc1ccc2c(c1)CCO2
InChIInChI=1S/C8H7ClO/c9-7-1-2-8-6(5-7)3-4-10-8/h1-2,5H,3-4H2
InChIKeyPEYYQHYMRUDUOH-UHFFFAOYSA-N
XLogP2.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.60
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-chloro-2,3-dihydro-1-benzofuran (CID 592964) is 5-chloro-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-chloro-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-chloro-2,3-dihydro-1-benzofuran is Clc1ccc2c(c1)CCO2.
What is the InChIKey of 5-chloro-2,3-dihydro-1-benzofuran?
The InChIKey is PEYYQHYMRUDUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO/c9-7-1-2-8-6(5-7)3-4-10-8/h1-2,5H,3-4H2.
What are the key properties of 5-chloro-2,3-dihydro-1-benzofuran?
5-chloro-2,3-dihydro-1-benzofuran has a molecular weight of 154.60 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 592964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).