1-(4-fluorophenyl)-2-[3-(4-fluorophenyl)-6-(hydroxymethyl)-4-methoxyindol-1-yl]ethanone

C24H19F2NO3 — CID 118535565

IUPAC1-(4-fluorophenyl)-2-[3-(4-fluorophenyl)-6-(hydroxymethyl)-4-methoxyindol-1-yl]ethanone
SMILESCOc1cc(CO)cc2c1c(-c1ccc(F)cc1)cn2CC(=O)c1ccc(F)cc1
InChIInChI=1S/C24H19F2NO3/c1-30-23-11-15(14-28)10-21-24(23)20(16-2-6-18(25)7-3-16)12-27(21)13-22(29)17-4-8-19(26)9-5-17/h2-12,28H,13-14H2,1H3
InChIKeyNWBVRSDGOBUDSW-UHFFFAOYSA-N
MW407.42 g/mol
LogP4.97
Rot. Bonds6

About 1-(4-fluorophenyl)-2-[3-(4-fluorophenyl)-6-(hydroxymethyl)-4-methoxyindol-1-yl]ethanone

1-(4-fluorophenyl)-2-[3-(4-fluorophenyl)-6-(hydroxymethyl)-4-methoxyindol-1-yl]ethanone (PubChem CID 118535565) has the molecular formula C24H19F2NO3 and a molecular weight of 407.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[3-(4-fluorophenyl)-6-(hydroxymethyl)-4-methoxyindol-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[3-(4-fluorophenyl)-6-(hydroxymethyl)-4-methoxyindol-1-yl]ethanone
PubChem CID118535565
Molecular FormulaC24H19F2NO3
Molecular Weight407.42 g/mol
Exact Mass407.13
IUPAC Name1-(4-fluorophenyl)-2-[3-(4-fluorophenyl)-6-(hydroxymethyl)-4-methoxyindol-1-yl]ethanone
SMILESCOc1cc(CO)cc2c1c(-c1ccc(F)cc1)cn2CC(=O)c1ccc(F)cc1
InChIInChI=1S/C24H19F2NO3/c1-30-23-11-15(14-28)10-21-24(23)20(16-2-6-18(25)7-3-16)12-27(21)13-22(29)17-4-8-19(26)9-5-17/h2-12,28H,13-14H2,1H3
InChIKeyNWBVRSDGOBUDSW-UHFFFAOYSA-N
XLogP4.97
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[3-(4-fluorophenyl)-6-(hydroxymethyl)-4-methoxyindol-1-yl]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[3-(4-fluorophenyl)-6-(hydroxymethyl)-4-methoxyindol-1-yl]ethanone (CID 118535565) is 1-(4-fluorophenyl)-2-[3-(4-fluorophenyl)-6-(hydroxymethyl)-4-methoxyindol-1-yl]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[3-(4-fluorophenyl)-6-(hydroxymethyl)-4-methoxyindol-1-yl]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[3-(4-fluorophenyl)-6-(hydroxymethyl)-4-methoxyindol-1-yl]ethanone is COc1cc(CO)cc2c1c(-c1ccc(F)cc1)cn2CC(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[3-(4-fluorophenyl)-6-(hydroxymethyl)-4-methoxyindol-1-yl]ethanone?
The InChIKey is NWBVRSDGOBUDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2NO3/c1-30-23-11-15(14-28)10-21-24(23)20(16-2-6-18(25)7-3-16)12-27(21)13-22(29)17-4-8-19(26)9-5-17/h2-12,28H,13-14H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-[3-(4-fluorophenyl)-6-(hydroxymethyl)-4-methoxyindol-1-yl]ethanone?
1-(4-fluorophenyl)-2-[3-(4-fluorophenyl)-6-(hydroxymethyl)-4-methoxyindol-1-yl]ethanone has a molecular weight of 407.42 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[3-(4-fluorophenyl)-6-(hydroxymethyl)-4-methoxyindol-1-yl]ethanone is sourced from PubChem (CID 118535565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).