1-[(4-fluorophenyl)methyl]-4-methoxy-2-methylindole

C17H16FNO — CID 10825849

IUPAC1-[(4-fluorophenyl)methyl]-4-methoxy-2-methylindole
SMILESCOc1cccc2c1cc(C)n2Cc1ccc(F)cc1
InChIInChI=1S/C17H16FNO/c1-12-10-15-16(4-3-5-17(15)20-2)19(12)11-13-6-8-14(18)9-7-13/h3-10H,11H2,1-2H3
InChIKeyJZEAAVABMPHYON-UHFFFAOYSA-N
MW269.32 g/mol
LogP4.15
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]-4-methoxy-2-methylindole

1-[(4-fluorophenyl)methyl]-4-methoxy-2-methylindole (PubChem CID 10825849) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-4-methoxy-2-methylindole.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-4-methoxy-2-methylindole
PubChem CID10825849
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name1-[(4-fluorophenyl)methyl]-4-methoxy-2-methylindole
SMILESCOc1cccc2c1cc(C)n2Cc1ccc(F)cc1
InChIInChI=1S/C17H16FNO/c1-12-10-15-16(4-3-5-17(15)20-2)19(12)11-13-6-8-14(18)9-7-13/h3-10H,11H2,1-2H3
InChIKeyJZEAAVABMPHYON-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 1-[(4-fluorophenyl)methyl]-4-methoxy-2-methylindole?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-4-methoxy-2-methylindole (CID 10825849) is 1-[(4-fluorophenyl)methyl]-4-methoxy-2-methylindole.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-4-methoxy-2-methylindole?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-4-methoxy-2-methylindole is COc1cccc2c1cc(C)n2Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-4-methoxy-2-methylindole?
The InChIKey is JZEAAVABMPHYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c1-12-10-15-16(4-3-5-17(15)20-2)19(12)11-13-6-8-14(18)9-7-13/h3-10H,11H2,1-2H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-4-methoxy-2-methylindole?
1-[(4-fluorophenyl)methyl]-4-methoxy-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 1-[(4-fluorophenyl)methyl]-4-methoxy-2-methylindole is sourced from PubChem (CID 10825849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).