2-[4-(2-fluorophenyl)phenyl]-5-methoxy-3-methyl-1H-indole

C22H18FNO — CID 2741187

IUPAC2-[4-(2-fluorophenyl)phenyl]-5-methoxy-3-methyl-1H-indole
SMILESCOc1ccc2[nH]c(-c3ccc(-c4ccccc4F)cc3)c(C)c2c1
InChIInChI=1S/C22H18FNO/c1-14-19-13-17(25-2)11-12-21(19)24-22(14)16-9-7-15(8-10-16)18-5-3-4-6-20(18)23/h3-13,24H,1-2H3
InChIKeyRZDZTACRWDLJMN-UHFFFAOYSA-N
MW331.39 g/mol
LogP5.96
Rot. Bonds3

About 2-[4-(2-fluorophenyl)phenyl]-5-methoxy-3-methyl-1H-indole

2-[4-(2-fluorophenyl)phenyl]-5-methoxy-3-methyl-1H-indole (PubChem CID 2741187) has the molecular formula C22H18FNO and a molecular weight of 331.39 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)phenyl]-5-methoxy-3-methyl-1H-indole.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)phenyl]-5-methoxy-3-methyl-1H-indole
PubChem CID2741187
Molecular FormulaC22H18FNO
Molecular Weight331.39 g/mol
Exact Mass331.14
IUPAC Name2-[4-(2-fluorophenyl)phenyl]-5-methoxy-3-methyl-1H-indole
SMILESCOc1ccc2[nH]c(-c3ccc(-c4ccccc4F)cc3)c(C)c2c1
InChIInChI=1S/C22H18FNO/c1-14-19-13-17(25-2)11-12-21(19)24-22(14)16-9-7-15(8-10-16)18-5-3-4-6-20(18)23/h3-13,24H,1-2H3
InChIKeyRZDZTACRWDLJMN-UHFFFAOYSA-N
XLogP5.96
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.39
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)phenyl]-5-methoxy-3-methyl-1H-indole?
The IUPAC name of 2-[4-(2-fluorophenyl)phenyl]-5-methoxy-3-methyl-1H-indole (CID 2741187) is 2-[4-(2-fluorophenyl)phenyl]-5-methoxy-3-methyl-1H-indole.
What is the SMILES notation for 2-[4-(2-fluorophenyl)phenyl]-5-methoxy-3-methyl-1H-indole?
The canonical SMILES for 2-[4-(2-fluorophenyl)phenyl]-5-methoxy-3-methyl-1H-indole is COc1ccc2[nH]c(-c3ccc(-c4ccccc4F)cc3)c(C)c2c1.
What is the InChIKey of 2-[4-(2-fluorophenyl)phenyl]-5-methoxy-3-methyl-1H-indole?
The InChIKey is RZDZTACRWDLJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FNO/c1-14-19-13-17(25-2)11-12-21(19)24-22(14)16-9-7-15(8-10-16)18-5-3-4-6-20(18)23/h3-13,24H,1-2H3.
What are the key properties of 2-[4-(2-fluorophenyl)phenyl]-5-methoxy-3-methyl-1H-indole?
2-[4-(2-fluorophenyl)phenyl]-5-methoxy-3-methyl-1H-indole has a molecular weight of 331.39 g/mol, XLogP of 5.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)phenyl]-5-methoxy-3-methyl-1H-indole is sourced from PubChem (CID 2741187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).