3-(4-fluorophenyl)-3-methoxy-2-phenylindole

C21H16FNO — CID 154715047

IUPAC3-(4-fluorophenyl)-3-methoxy-2-phenylindole
SMILESCOC1(c2ccc(F)cc2)C(c2ccccc2)=Nc2ccccc21
InChIInChI=1S/C21H16FNO/c1-24-21(16-11-13-17(22)14-12-16)18-9-5-6-10-19(18)23-20(21)15-7-3-2-4-8-15/h2-14H,1H3
InChIKeyHRLKFIJEGIZSHP-UHFFFAOYSA-N
MW317.36 g/mol
LogP4.85
Rot. Bonds3

About 3-(4-fluorophenyl)-3-methoxy-2-phenylindole

3-(4-fluorophenyl)-3-methoxy-2-phenylindole (PubChem CID 154715047) has the molecular formula C21H16FNO and a molecular weight of 317.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-methoxy-2-phenylindole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-methoxy-2-phenylindole
PubChem CID154715047
Molecular FormulaC21H16FNO
Molecular Weight317.36 g/mol
Exact Mass317.12
IUPAC Name3-(4-fluorophenyl)-3-methoxy-2-phenylindole
SMILESCOC1(c2ccc(F)cc2)C(c2ccccc2)=Nc2ccccc21
InChIInChI=1S/C21H16FNO/c1-24-21(16-11-13-17(22)14-12-16)18-9-5-6-10-19(18)23-20(21)15-7-3-2-4-8-15/h2-14H,1H3
InChIKeyHRLKFIJEGIZSHP-UHFFFAOYSA-N
XLogP4.85
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-methoxy-2-phenylindole?
The IUPAC name of 3-(4-fluorophenyl)-3-methoxy-2-phenylindole (CID 154715047) is 3-(4-fluorophenyl)-3-methoxy-2-phenylindole.
What is the SMILES notation for 3-(4-fluorophenyl)-3-methoxy-2-phenylindole?
The canonical SMILES for 3-(4-fluorophenyl)-3-methoxy-2-phenylindole is COC1(c2ccc(F)cc2)C(c2ccccc2)=Nc2ccccc21.
What is the InChIKey of 3-(4-fluorophenyl)-3-methoxy-2-phenylindole?
The InChIKey is HRLKFIJEGIZSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FNO/c1-24-21(16-11-13-17(22)14-12-16)18-9-5-6-10-19(18)23-20(21)15-7-3-2-4-8-15/h2-14H,1H3.
What are the key properties of 3-(4-fluorophenyl)-3-methoxy-2-phenylindole?
3-(4-fluorophenyl)-3-methoxy-2-phenylindole has a molecular weight of 317.36 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-methoxy-2-phenylindole is sourced from PubChem (CID 154715047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).