3-(2-chloro-6-phenylphenyl)dibenzofuran

C24H15ClO — CID 170666298

IUPAC3-(2-chloro-6-phenylphenyl)dibenzofuran
SMILESClc1cccc(-c2ccccc2)c1-c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C24H15ClO/c25-21-11-6-10-18(16-7-2-1-3-8-16)24(21)17-13-14-20-19-9-4-5-12-22(19)26-23(20)15-17/h1-15H
InChIKeyGKBJHUBLXKCGOG-UHFFFAOYSA-N
MW354.84 g/mol
LogP7.57
Rot. Bonds2

About 3-(2-chloro-6-phenylphenyl)dibenzofuran

3-(2-chloro-6-phenylphenyl)dibenzofuran (PubChem CID 170666298) has the molecular formula C24H15ClO and a molecular weight of 354.84 g/mol. Its IUPAC name is 3-(2-chloro-6-phenylphenyl)dibenzofuran.

Molecular Properties

Compound Name3-(2-chloro-6-phenylphenyl)dibenzofuran
PubChem CID170666298
Molecular FormulaC24H15ClO
Molecular Weight354.84 g/mol
Exact Mass354.08
IUPAC Name3-(2-chloro-6-phenylphenyl)dibenzofuran
SMILESClc1cccc(-c2ccccc2)c1-c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C24H15ClO/c25-21-11-6-10-18(16-7-2-1-3-8-16)24(21)17-13-14-20-19-9-4-5-12-22(19)26-23(20)15-17/h1-15H
InChIKeyGKBJHUBLXKCGOG-UHFFFAOYSA-N
XLogP7.57
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.84
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-phenylphenyl)dibenzofuran?
The IUPAC name of 3-(2-chloro-6-phenylphenyl)dibenzofuran (CID 170666298) is 3-(2-chloro-6-phenylphenyl)dibenzofuran.
What is the SMILES notation for 3-(2-chloro-6-phenylphenyl)dibenzofuran?
The canonical SMILES for 3-(2-chloro-6-phenylphenyl)dibenzofuran is Clc1cccc(-c2ccccc2)c1-c1ccc2c(c1)oc1ccccc12.
What is the InChIKey of 3-(2-chloro-6-phenylphenyl)dibenzofuran?
The InChIKey is GKBJHUBLXKCGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClO/c25-21-11-6-10-18(16-7-2-1-3-8-16)24(21)17-13-14-20-19-9-4-5-12-22(19)26-23(20)15-17/h1-15H.
What are the key properties of 3-(2-chloro-6-phenylphenyl)dibenzofuran?
3-(2-chloro-6-phenylphenyl)dibenzofuran has a molecular weight of 354.84 g/mol, XLogP of 7.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-phenylphenyl)dibenzofuran is sourced from PubChem (CID 170666298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).