2-[4-(1-benzofuran-2-yl)-2,5-dichlorophenyl]-1-benzofuran

C22H12Cl2O2 — CID 67296045

IUPAC2-[4-(1-benzofuran-2-yl)-2,5-dichlorophenyl]-1-benzofuran
SMILESClc1cc(-c2cc3ccccc3o2)c(Cl)cc1-c1cc2ccccc2o1
InChIInChI=1S/C22H12Cl2O2/c23-17-12-16(22-10-14-6-2-4-8-20(14)26-22)18(24)11-15(17)21-9-13-5-1-3-7-19(13)25-21/h1-12H
InChIKeyHMWUCHFMKKVAKF-UHFFFAOYSA-N
MW379.24 g/mol
LogP7.82
Rot. Bonds2

About 2-[4-(1-benzofuran-2-yl)-2,5-dichlorophenyl]-1-benzofuran

2-[4-(1-benzofuran-2-yl)-2,5-dichlorophenyl]-1-benzofuran (PubChem CID 67296045) has the molecular formula C22H12Cl2O2 and a molecular weight of 379.24 g/mol. Its IUPAC name is 2-[4-(1-benzofuran-2-yl)-2,5-dichlorophenyl]-1-benzofuran.

Molecular Properties

Compound Name2-[4-(1-benzofuran-2-yl)-2,5-dichlorophenyl]-1-benzofuran
PubChem CID67296045
Molecular FormulaC22H12Cl2O2
Molecular Weight379.24 g/mol
Exact Mass378.02
IUPAC Name2-[4-(1-benzofuran-2-yl)-2,5-dichlorophenyl]-1-benzofuran
SMILESClc1cc(-c2cc3ccccc3o2)c(Cl)cc1-c1cc2ccccc2o1
InChIInChI=1S/C22H12Cl2O2/c23-17-12-16(22-10-14-6-2-4-8-20(14)26-22)18(24)11-15(17)21-9-13-5-1-3-7-19(13)25-21/h1-12H
InChIKeyHMWUCHFMKKVAKF-UHFFFAOYSA-N
XLogP7.82
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.24
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzofuran-2-yl)-6-chlorobenzaldehyde
CID 170403113
2-(2-bromophenyl)-1-benzofuran
CID 14669096
2-[2-(1-benzofuran-2-yl)-6-chlorophenyl]propan-2-ol
CID 168815198
2,4-bis(1-benzofuran-2-yl)-6-chloro-1,3,5-triazine
CID 176645637
[2-(1-benzofuran-2-yl)-4-chlorophenyl]methanamine
CID 114732195
2-pyren-1-yl-1-benzofuran
CID 59390386
2-[2-(iodomethyl)phenyl]-1-benzofuran
CID 146186545
2-(2-ethenylphenyl)-1-benzofuran
CID 173437149
4-(1-benzofuran-2-yl)-2-(4-bromo-2-chlorophenyl)-1,3-thiazole
CID 146460725
4-(1-benzofuran-2-yl)-5-bromobenzene-1,2-diol
CID 118731476
2-(3-chloro-5-phenylphenyl)-1-benzofuran
CID 144661171
2-(2-methylperoxyphenyl)-1-benzofuran
CID 134976959

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-benzofuran-2-yl)-2,5-dichlorophenyl]-1-benzofuran?
The IUPAC name of 2-[4-(1-benzofuran-2-yl)-2,5-dichlorophenyl]-1-benzofuran (CID 67296045) is 2-[4-(1-benzofuran-2-yl)-2,5-dichlorophenyl]-1-benzofuran.
What is the SMILES notation for 2-[4-(1-benzofuran-2-yl)-2,5-dichlorophenyl]-1-benzofuran?
The canonical SMILES for 2-[4-(1-benzofuran-2-yl)-2,5-dichlorophenyl]-1-benzofuran is Clc1cc(-c2cc3ccccc3o2)c(Cl)cc1-c1cc2ccccc2o1.
What is the InChIKey of 2-[4-(1-benzofuran-2-yl)-2,5-dichlorophenyl]-1-benzofuran?
The InChIKey is HMWUCHFMKKVAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12Cl2O2/c23-17-12-16(22-10-14-6-2-4-8-20(14)26-22)18(24)11-15(17)21-9-13-5-1-3-7-19(13)25-21/h1-12H.
What are the key properties of 2-[4-(1-benzofuran-2-yl)-2,5-dichlorophenyl]-1-benzofuran?
2-[4-(1-benzofuran-2-yl)-2,5-dichlorophenyl]-1-benzofuran has a molecular weight of 379.24 g/mol, XLogP of 7.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-benzofuran-2-yl)-2,5-dichlorophenyl]-1-benzofuran is sourced from PubChem (CID 67296045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).