1-(1-butyl-7-hydroxyindol-3-yl)-2-(4-fluorophenyl)ethanone

C20H20FNO2 — CID 71683086

IUPAC1-(1-butyl-7-hydroxyindol-3-yl)-2-(4-fluorophenyl)ethanone
SMILESCCCCn1cc(C(=O)Cc2ccc(F)cc2)c2cccc(O)c21
InChIInChI=1S/C20H20FNO2/c1-2-3-11-22-13-17(16-5-4-6-18(23)20(16)22)19(24)12-14-7-9-15(21)10-8-14/h4-10,13,23H,2-3,11-12H2,1H3
InChIKeyJFIVUHLHIDOETA-UHFFFAOYSA-N
MW325.38 g/mol
LogP4.71
Rot. Bonds6

About 1-(1-butyl-7-hydroxyindol-3-yl)-2-(4-fluorophenyl)ethanone

1-(1-butyl-7-hydroxyindol-3-yl)-2-(4-fluorophenyl)ethanone (PubChem CID 71683086) has the molecular formula C20H20FNO2 and a molecular weight of 325.38 g/mol. Its IUPAC name is 1-(1-butyl-7-hydroxyindol-3-yl)-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(1-butyl-7-hydroxyindol-3-yl)-2-(4-fluorophenyl)ethanone
PubChem CID71683086
Molecular FormulaC20H20FNO2
Molecular Weight325.38 g/mol
Exact Mass325.15
IUPAC Name1-(1-butyl-7-hydroxyindol-3-yl)-2-(4-fluorophenyl)ethanone
SMILESCCCCn1cc(C(=O)Cc2ccc(F)cc2)c2cccc(O)c21
InChIInChI=1S/C20H20FNO2/c1-2-3-11-22-13-17(16-5-4-6-18(23)20(16)22)19(24)12-14-7-9-15(21)10-8-14/h4-10,13,23H,2-3,11-12H2,1H3
InChIKeyJFIVUHLHIDOETA-UHFFFAOYSA-N
XLogP4.71
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-butyl-7-hydroxyindol-3-yl)-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-(1-butyl-7-hydroxyindol-3-yl)-2-(4-fluorophenyl)ethanone (CID 71683086) is 1-(1-butyl-7-hydroxyindol-3-yl)-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-(1-butyl-7-hydroxyindol-3-yl)-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-(1-butyl-7-hydroxyindol-3-yl)-2-(4-fluorophenyl)ethanone is CCCCn1cc(C(=O)Cc2ccc(F)cc2)c2cccc(O)c21.
What is the InChIKey of 1-(1-butyl-7-hydroxyindol-3-yl)-2-(4-fluorophenyl)ethanone?
The InChIKey is JFIVUHLHIDOETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO2/c1-2-3-11-22-13-17(16-5-4-6-18(23)20(16)22)19(24)12-14-7-9-15(21)10-8-14/h4-10,13,23H,2-3,11-12H2,1H3.
What are the key properties of 1-(1-butyl-7-hydroxyindol-3-yl)-2-(4-fluorophenyl)ethanone?
1-(1-butyl-7-hydroxyindol-3-yl)-2-(4-fluorophenyl)ethanone has a molecular weight of 325.38 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butyl-7-hydroxyindol-3-yl)-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 71683086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).