5-chloro-3-(4-chlorophenyl)-1-benzofuran-2-carbaldehyde

C15H8Cl2O2 — CID 12535911

IUPAC5-chloro-3-(4-chlorophenyl)-1-benzofuran-2-carbaldehyde
SMILESO=Cc1oc2ccc(Cl)cc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C15H8Cl2O2/c16-10-3-1-9(2-4-10)15-12-7-11(17)5-6-13(12)19-14(15)8-18/h1-8H
InChIKeyHJAATKXGTIYNRV-UHFFFAOYSA-N
MW291.13 g/mol
LogP5.22
Rot. Bonds2

About 5-chloro-3-(4-chlorophenyl)-1-benzofuran-2-carbaldehyde

5-chloro-3-(4-chlorophenyl)-1-benzofuran-2-carbaldehyde (PubChem CID 12535911) has the molecular formula C15H8Cl2O2 and a molecular weight of 291.13 g/mol. Its IUPAC name is 5-chloro-3-(4-chlorophenyl)-1-benzofuran-2-carbaldehyde.

Molecular Properties

Compound Name5-chloro-3-(4-chlorophenyl)-1-benzofuran-2-carbaldehyde
PubChem CID12535911
Molecular FormulaC15H8Cl2O2
Molecular Weight291.13 g/mol
Exact Mass289.99
IUPAC Name5-chloro-3-(4-chlorophenyl)-1-benzofuran-2-carbaldehyde
SMILESO=Cc1oc2ccc(Cl)cc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C15H8Cl2O2/c16-10-3-1-9(2-4-10)15-12-7-11(17)5-6-13(12)19-14(15)8-18/h1-8H
InChIKeyHJAATKXGTIYNRV-UHFFFAOYSA-N
XLogP5.22
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.13
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)-6-methoxy-1-benzofuran-2-carbaldehyde
CID 154079625
6-chloro-2-(4-chlorophenyl)chromen-4-one
CID 688871
5-chloro-3-(4-methoxyphenyl)-2-methyl-1-benzofuran
CID 788114
[5-chloro-3-(4-methoxyphenyl)-1-benzofuran-2-yl]methanol
CID 12535905
(2S)-2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxypropanoic acid
CID 7747088
6-chloro-2-(4-chlorophenyl)-3-[(3-chlorophenyl)methoxy]chromen-4-one
CID 21000417
4-(4-chlorophenyl)furan-2-carbaldehyde
CID 71424930
5-chloro-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid
CID 142773378
N-[[3-(4-chlorophenyl)-5-methyl-1-benzofuran-2-yl]methyl]but-2-en-1-amine
CID 67850128
2-(4-aminophenyl)-6-chlorochromen-4-one
CID 82046480
2-benzyl-3-(4-chlorophenyl)-1-benzofuran
CID 154708435
methyl 2-(5-chloro-3-phenyl-1-benzofuran-2-yl)acetate
CID 139660117

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(4-chlorophenyl)-1-benzofuran-2-carbaldehyde?
The IUPAC name of 5-chloro-3-(4-chlorophenyl)-1-benzofuran-2-carbaldehyde (CID 12535911) is 5-chloro-3-(4-chlorophenyl)-1-benzofuran-2-carbaldehyde.
What is the SMILES notation for 5-chloro-3-(4-chlorophenyl)-1-benzofuran-2-carbaldehyde?
The canonical SMILES for 5-chloro-3-(4-chlorophenyl)-1-benzofuran-2-carbaldehyde is O=Cc1oc2ccc(Cl)cc2c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-chloro-3-(4-chlorophenyl)-1-benzofuran-2-carbaldehyde?
The InChIKey is HJAATKXGTIYNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2O2/c16-10-3-1-9(2-4-10)15-12-7-11(17)5-6-13(12)19-14(15)8-18/h1-8H.
What are the key properties of 5-chloro-3-(4-chlorophenyl)-1-benzofuran-2-carbaldehyde?
5-chloro-3-(4-chlorophenyl)-1-benzofuran-2-carbaldehyde has a molecular weight of 291.13 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(4-chlorophenyl)-1-benzofuran-2-carbaldehyde is sourced from PubChem (CID 12535911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).