6-chloro-3-phenyl-1-benzofuran

C14H9ClO — CID 615040

IUPAC6-chloro-3-phenyl-1-benzofuran
SMILESClc1ccc2c(-c3ccccc3)coc2c1
InChIInChI=1S/C14H9ClO/c15-11-6-7-12-13(9-16-14(12)8-11)10-4-2-1-3-5-10/h1-9H
InChIKeyQSMJXIIVAYQWDK-UHFFFAOYSA-N
MW228.68 g/mol
LogP4.75
Rot. Bonds1

About 6-chloro-3-phenyl-1-benzofuran

6-chloro-3-phenyl-1-benzofuran (PubChem CID 615040) has the molecular formula C14H9ClO and a molecular weight of 228.68 g/mol. Its IUPAC name is 6-chloro-3-phenyl-1-benzofuran.

Molecular Properties

Compound Name6-chloro-3-phenyl-1-benzofuran
PubChem CID615040
Molecular FormulaC14H9ClO
Molecular Weight228.68 g/mol
Exact Mass228.03
IUPAC Name6-chloro-3-phenyl-1-benzofuran
SMILESClc1ccc2c(-c3ccccc3)coc2c1
InChIInChI=1S/C14H9ClO/c15-11-6-7-12-13(9-16-14(12)8-11)10-4-2-1-3-5-10/h1-9H
InChIKeyQSMJXIIVAYQWDK-UHFFFAOYSA-N
XLogP4.75
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-phenyl-1-benzofuran?
The IUPAC name of 6-chloro-3-phenyl-1-benzofuran (CID 615040) is 6-chloro-3-phenyl-1-benzofuran.
What is the SMILES notation for 6-chloro-3-phenyl-1-benzofuran?
The canonical SMILES for 6-chloro-3-phenyl-1-benzofuran is Clc1ccc2c(-c3ccccc3)coc2c1.
What is the InChIKey of 6-chloro-3-phenyl-1-benzofuran?
The InChIKey is QSMJXIIVAYQWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClO/c15-11-6-7-12-13(9-16-14(12)8-11)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 6-chloro-3-phenyl-1-benzofuran?
6-chloro-3-phenyl-1-benzofuran has a molecular weight of 228.68 g/mol, XLogP of 4.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-phenyl-1-benzofuran is sourced from PubChem (CID 615040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).