2-benzyl-3-(4-chlorophenyl)-1-benzofuran

C21H15ClO — CID 154708435

IUPAC2-benzyl-3-(4-chlorophenyl)-1-benzofuran
SMILESClc1ccc(-c2c(Cc3ccccc3)oc3ccccc23)cc1
InChIInChI=1S/C21H15ClO/c22-17-12-10-16(11-13-17)21-18-8-4-5-9-19(18)23-20(21)14-15-6-2-1-3-7-15/h1-13H,14H2
InChIKeyNYDBTOHVRXOPHN-UHFFFAOYSA-N
MW318.80 g/mol
LogP6.34
Rot. Bonds3

About 2-benzyl-3-(4-chlorophenyl)-1-benzofuran

2-benzyl-3-(4-chlorophenyl)-1-benzofuran (PubChem CID 154708435) has the molecular formula C21H15ClO and a molecular weight of 318.80 g/mol. Its IUPAC name is 2-benzyl-3-(4-chlorophenyl)-1-benzofuran.

Molecular Properties

Compound Name2-benzyl-3-(4-chlorophenyl)-1-benzofuran
PubChem CID154708435
Molecular FormulaC21H15ClO
Molecular Weight318.80 g/mol
Exact Mass318.08
IUPAC Name2-benzyl-3-(4-chlorophenyl)-1-benzofuran
SMILESClc1ccc(-c2c(Cc3ccccc3)oc3ccccc23)cc1
InChIInChI=1S/C21H15ClO/c22-17-12-10-16(11-13-17)21-18-8-4-5-9-19(18)23-20(21)14-15-6-2-1-3-7-15/h1-13H,14H2
InChIKeyNYDBTOHVRXOPHN-UHFFFAOYSA-N
XLogP6.34
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.80
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-benzyl-3-(4-chlorophenyl)-1-benzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzyl-6-methoxy-3-(4-methoxyphenyl)-1-benzofuran
CID 154708443
methyl (2R)-2-[4-[4-(2-benzyl-1-benzofuran-3-yl)phenyl]phenoxy]propanoate
CID 10600136
2-[4-[4-(2-benzyl-1-benzofuran-3-yl)phenyl]-2,6-dibromophenoxy]butanoic acid
CID 22462600
2-[4-[4-(2-benzyl-1-benzofuran-3-yl)phenyl]-2-bromophenoxy]-3-phenylpropanoic acid
CID 22462609
4-[4-[4-(2-benzyl-1-benzofuran-3-yl)phenyl]phenyl]-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-oxobutanoic acid
CID 11215828
[2-[(4-chlorophenyl)methyl]-1-benzofuran-3-yl]-(4-hydroxyphenyl)methanone
CID 21435284
methyl (2S)-2-[4-[4-(2-benzyl-1-benzofuran-3-yl)phenyl]-2,6-dibromophenoxy]-3-phenylpropanoate
CID 10770956
2-benzyl-4-[5-(2-benzyl-1-benzofuran-3-yl)-2-phenylphenyl]-4-oxobutanoic acid
CID 68980048
1-(2-benzyl-1-benzofuran-3-yl)ethanone
CID 13024727
(2S)-2-[4-[4-(2-benzyl-1-benzofuran-3-yl)phenyl]-2-nitroanilino]-3-phenylpropanoic acid
CID 68980842
6-ethyl-11-phenylindeno[1,2-c]chromene
CID 135026669
methyl (2R)-3-[[4-[4-(2-benzyl-1-benzofuran-3-yl)phenyl]phenyl]methylsulfanyl]-2-(3-phenylpropanoylamino)propanoate
CID 11239125

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(4-chlorophenyl)-1-benzofuran?
The IUPAC name of 2-benzyl-3-(4-chlorophenyl)-1-benzofuran (CID 154708435) is 2-benzyl-3-(4-chlorophenyl)-1-benzofuran.
What is the SMILES notation for 2-benzyl-3-(4-chlorophenyl)-1-benzofuran?
The canonical SMILES for 2-benzyl-3-(4-chlorophenyl)-1-benzofuran is Clc1ccc(-c2c(Cc3ccccc3)oc3ccccc23)cc1.
What is the InChIKey of 2-benzyl-3-(4-chlorophenyl)-1-benzofuran?
The InChIKey is NYDBTOHVRXOPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClO/c22-17-12-10-16(11-13-17)21-18-8-4-5-9-19(18)23-20(21)14-15-6-2-1-3-7-15/h1-13H,14H2.
What are the key properties of 2-benzyl-3-(4-chlorophenyl)-1-benzofuran?
2-benzyl-3-(4-chlorophenyl)-1-benzofuran has a molecular weight of 318.80 g/mol, XLogP of 6.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(4-chlorophenyl)-1-benzofuran is sourced from PubChem (CID 154708435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).