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

C20H21NO3 — CID 71680725

IUPAC1-(1-butyl-7-hydroxyindol-3-yl)-2-(4-hydroxyphenyl)ethanone
SMILESCCCCn1cc(C(=O)Cc2ccc(O)cc2)c2cccc(O)c21
InChIInChI=1S/C20H21NO3/c1-2-3-11-21-13-17(16-5-4-6-18(23)20(16)21)19(24)12-14-7-9-15(22)10-8-14/h4-10,13,22-23H,2-3,11-12H2,1H3
InChIKeyAMCFEUUHMFKSEP-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.28
Rot. Bonds6

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

1-(1-butyl-7-hydroxyindol-3-yl)-2-(4-hydroxyphenyl)ethanone (PubChem CID 71680725) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 1-(1-butyl-7-hydroxyindol-3-yl)-2-(4-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-(1-butyl-7-hydroxyindol-3-yl)-2-(4-hydroxyphenyl)ethanone
PubChem CID71680725
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name1-(1-butyl-7-hydroxyindol-3-yl)-2-(4-hydroxyphenyl)ethanone
SMILESCCCCn1cc(C(=O)Cc2ccc(O)cc2)c2cccc(O)c21
InChIInChI=1S/C20H21NO3/c1-2-3-11-21-13-17(16-5-4-6-18(23)20(16)21)19(24)12-14-7-9-15(22)10-8-14/h4-10,13,22-23H,2-3,11-12H2,1H3
InChIKeyAMCFEUUHMFKSEP-UHFFFAOYSA-N
XLogP4.28
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-butyl-7-hydroxyindol-3-yl)-2-(4-hydroxyphenyl)ethanone?
The IUPAC name of 1-(1-butyl-7-hydroxyindol-3-yl)-2-(4-hydroxyphenyl)ethanone (CID 71680725) is 1-(1-butyl-7-hydroxyindol-3-yl)-2-(4-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-(1-butyl-7-hydroxyindol-3-yl)-2-(4-hydroxyphenyl)ethanone?
The canonical SMILES for 1-(1-butyl-7-hydroxyindol-3-yl)-2-(4-hydroxyphenyl)ethanone is CCCCn1cc(C(=O)Cc2ccc(O)cc2)c2cccc(O)c21.
What is the InChIKey of 1-(1-butyl-7-hydroxyindol-3-yl)-2-(4-hydroxyphenyl)ethanone?
The InChIKey is AMCFEUUHMFKSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-2-3-11-21-13-17(16-5-4-6-18(23)20(16)21)19(24)12-14-7-9-15(22)10-8-14/h4-10,13,22-23H,2-3,11-12H2,1H3.
What are the key properties of 1-(1-butyl-7-hydroxyindol-3-yl)-2-(4-hydroxyphenyl)ethanone?
1-(1-butyl-7-hydroxyindol-3-yl)-2-(4-hydroxyphenyl)ethanone has a molecular weight of 323.39 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butyl-7-hydroxyindol-3-yl)-2-(4-hydroxyphenyl)ethanone is sourced from PubChem (CID 71680725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).