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

C20H13ClO — CID 102583816

IUPAC5-chloro-2,3-diphenyl-1-benzofuran
SMILESClc1ccc2oc(-c3ccccc3)c(-c3ccccc3)c2c1
InChIInChI=1S/C20H13ClO/c21-16-11-12-18-17(13-16)19(14-7-3-1-4-8-14)20(22-18)15-9-5-2-6-10-15/h1-13H
InChIKeyKONNMFIAQQMUIU-UHFFFAOYSA-N
MW304.78 g/mol
LogP6.42
Rot. Bonds2

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

5-chloro-2,3-diphenyl-1-benzofuran (PubChem CID 102583816) has the molecular formula C20H13ClO and a molecular weight of 304.78 g/mol. Its IUPAC name is 5-chloro-2,3-diphenyl-1-benzofuran.

Molecular Properties

Compound Name5-chloro-2,3-diphenyl-1-benzofuran
PubChem CID102583816
Molecular FormulaC20H13ClO
Molecular Weight304.78 g/mol
Exact Mass304.07
IUPAC Name5-chloro-2,3-diphenyl-1-benzofuran
SMILESClc1ccc2oc(-c3ccccc3)c(-c3ccccc3)c2c1
InChIInChI=1S/C20H13ClO/c21-16-11-12-18-17(13-16)19(14-7-3-1-4-8-14)20(22-18)15-9-5-2-6-10-15/h1-13H
InChIKeyKONNMFIAQQMUIU-UHFFFAOYSA-N
XLogP6.42
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.78
LogP ≤ 56.42
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-diphenyl-1-benzofuran?
The IUPAC name of 5-chloro-2,3-diphenyl-1-benzofuran (CID 102583816) is 5-chloro-2,3-diphenyl-1-benzofuran.
What is the SMILES notation for 5-chloro-2,3-diphenyl-1-benzofuran?
The canonical SMILES for 5-chloro-2,3-diphenyl-1-benzofuran is Clc1ccc2oc(-c3ccccc3)c(-c3ccccc3)c2c1.
What is the InChIKey of 5-chloro-2,3-diphenyl-1-benzofuran?
The InChIKey is KONNMFIAQQMUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClO/c21-16-11-12-18-17(13-16)19(14-7-3-1-4-8-14)20(22-18)15-9-5-2-6-10-15/h1-13H.
What are the key properties of 5-chloro-2,3-diphenyl-1-benzofuran?
5-chloro-2,3-diphenyl-1-benzofuran has a molecular weight of 304.78 g/mol, XLogP of 6.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,3-diphenyl-1-benzofuran is sourced from PubChem (CID 102583816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).