5-fluoro-1-[(4-methoxyphenyl)methyl]-2-methylindole

C17H16FNO — CID 174227358

IUPAC5-fluoro-1-[(4-methoxyphenyl)methyl]-2-methylindole
SMILESCOc1ccc(Cn2c(C)cc3cc(F)ccc32)cc1
InChIInChI=1S/C17H16FNO/c1-12-9-14-10-15(18)5-8-17(14)19(12)11-13-3-6-16(20-2)7-4-13/h3-10H,11H2,1-2H3
InChIKeyXSSBQYNEJJJHKD-UHFFFAOYSA-N
MW269.32 g/mol
LogP4.15
Rot. Bonds3

About 5-fluoro-1-[(4-methoxyphenyl)methyl]-2-methylindole

5-fluoro-1-[(4-methoxyphenyl)methyl]-2-methylindole (PubChem CID 174227358) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is 5-fluoro-1-[(4-methoxyphenyl)methyl]-2-methylindole.

Molecular Properties

Compound Name5-fluoro-1-[(4-methoxyphenyl)methyl]-2-methylindole
PubChem CID174227358
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name5-fluoro-1-[(4-methoxyphenyl)methyl]-2-methylindole
SMILESCOc1ccc(Cn2c(C)cc3cc(F)ccc32)cc1
InChIInChI=1S/C17H16FNO/c1-12-9-14-10-15(18)5-8-17(14)19(12)11-13-3-6-16(20-2)7-4-13/h3-10H,11H2,1-2H3
InChIKeyXSSBQYNEJJJHKD-UHFFFAOYSA-N
XLogP4.15
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(4-methoxyphenyl)methyl]-2-methylindole?
The IUPAC name of 5-fluoro-1-[(4-methoxyphenyl)methyl]-2-methylindole (CID 174227358) is 5-fluoro-1-[(4-methoxyphenyl)methyl]-2-methylindole.
What is the SMILES notation for 5-fluoro-1-[(4-methoxyphenyl)methyl]-2-methylindole?
The canonical SMILES for 5-fluoro-1-[(4-methoxyphenyl)methyl]-2-methylindole is COc1ccc(Cn2c(C)cc3cc(F)ccc32)cc1.
What is the InChIKey of 5-fluoro-1-[(4-methoxyphenyl)methyl]-2-methylindole?
The InChIKey is XSSBQYNEJJJHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c1-12-9-14-10-15(18)5-8-17(14)19(12)11-13-3-6-16(20-2)7-4-13/h3-10H,11H2,1-2H3.
What are the key properties of 5-fluoro-1-[(4-methoxyphenyl)methyl]-2-methylindole?
5-fluoro-1-[(4-methoxyphenyl)methyl]-2-methylindole has a molecular weight of 269.32 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(4-methoxyphenyl)methyl]-2-methylindole is sourced from PubChem (CID 174227358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).