3-[3-(2-benzofuran-1-yl)propyl]-1-(4-fluorophenyl)indole

C25H20FNO — CID 57079075

IUPAC3-[3-(2-benzofuran-1-yl)propyl]-1-(4-fluorophenyl)indole
SMILESFc1ccc(-n2cc(CCCc3occ4ccccc34)c3ccccc32)cc1
InChIInChI=1S/C25H20FNO/c26-20-12-14-21(15-13-20)27-16-18(22-8-3-4-10-24(22)27)7-5-11-25-23-9-2-1-6-19(23)17-28-25/h1-4,6,8-10,12-17H,5,7,11H2
InChIKeyHSQHBCWERCDCHY-UHFFFAOYSA-N
MW369.44 g/mol
LogP6.69
Rot. Bonds5

About 3-[3-(2-benzofuran-1-yl)propyl]-1-(4-fluorophenyl)indole

3-[3-(2-benzofuran-1-yl)propyl]-1-(4-fluorophenyl)indole (PubChem CID 57079075) has the molecular formula C25H20FNO and a molecular weight of 369.44 g/mol. Its IUPAC name is 3-[3-(2-benzofuran-1-yl)propyl]-1-(4-fluorophenyl)indole.

Molecular Properties

Compound Name3-[3-(2-benzofuran-1-yl)propyl]-1-(4-fluorophenyl)indole
PubChem CID57079075
Molecular FormulaC25H20FNO
Molecular Weight369.44 g/mol
Exact Mass369.15
IUPAC Name3-[3-(2-benzofuran-1-yl)propyl]-1-(4-fluorophenyl)indole
SMILESFc1ccc(-n2cc(CCCc3occ4ccccc34)c3ccccc32)cc1
InChIInChI=1S/C25H20FNO/c26-20-12-14-21(15-13-20)27-16-18(22-8-3-4-10-24(22)27)7-5-11-25-23-9-2-1-6-19(23)17-28-25/h1-4,6,8-10,12-17H,5,7,11H2
InChIKeyHSQHBCWERCDCHY-UHFFFAOYSA-N
XLogP6.69
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.44
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-benzofuran-1-yl)propyl]-1-(4-fluorophenyl)indole?
The IUPAC name of 3-[3-(2-benzofuran-1-yl)propyl]-1-(4-fluorophenyl)indole (CID 57079075) is 3-[3-(2-benzofuran-1-yl)propyl]-1-(4-fluorophenyl)indole.
What is the SMILES notation for 3-[3-(2-benzofuran-1-yl)propyl]-1-(4-fluorophenyl)indole?
The canonical SMILES for 3-[3-(2-benzofuran-1-yl)propyl]-1-(4-fluorophenyl)indole is Fc1ccc(-n2cc(CCCc3occ4ccccc34)c3ccccc32)cc1.
What is the InChIKey of 3-[3-(2-benzofuran-1-yl)propyl]-1-(4-fluorophenyl)indole?
The InChIKey is HSQHBCWERCDCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FNO/c26-20-12-14-21(15-13-20)27-16-18(22-8-3-4-10-24(22)27)7-5-11-25-23-9-2-1-6-19(23)17-28-25/h1-4,6,8-10,12-17H,5,7,11H2.
What are the key properties of 3-[3-(2-benzofuran-1-yl)propyl]-1-(4-fluorophenyl)indole?
3-[3-(2-benzofuran-1-yl)propyl]-1-(4-fluorophenyl)indole has a molecular weight of 369.44 g/mol, XLogP of 6.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-benzofuran-1-yl)propyl]-1-(4-fluorophenyl)indole is sourced from PubChem (CID 57079075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).