1-[1-(4-ethoxyphenyl)-5-hydroxy-2-methylindol-3-yl]ethanone

C19H19NO3 — CID 786617

IUPAC1-[1-(4-ethoxyphenyl)-5-hydroxy-2-methylindol-3-yl]ethanone
SMILESCCOc1ccc(-n2c(C)c(C(C)=O)c3cc(O)ccc32)cc1
InChIInChI=1S/C19H19NO3/c1-4-23-16-8-5-14(6-9-16)20-12(2)19(13(3)21)17-11-15(22)7-10-18(17)20/h5-11,22H,4H2,1-3H3
InChIKeyMPZRZOTXZBEGDA-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.25
Rot. Bonds4

About 1-[1-(4-ethoxyphenyl)-5-hydroxy-2-methylindol-3-yl]ethanone

1-[1-(4-ethoxyphenyl)-5-hydroxy-2-methylindol-3-yl]ethanone (PubChem CID 786617) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-[1-(4-ethoxyphenyl)-5-hydroxy-2-methylindol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(4-ethoxyphenyl)-5-hydroxy-2-methylindol-3-yl]ethanone
PubChem CID786617
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name1-[1-(4-ethoxyphenyl)-5-hydroxy-2-methylindol-3-yl]ethanone
SMILESCCOc1ccc(-n2c(C)c(C(C)=O)c3cc(O)ccc32)cc1
InChIInChI=1S/C19H19NO3/c1-4-23-16-8-5-14(6-9-16)20-12(2)19(13(3)21)17-11-15(22)7-10-18(17)20/h5-11,22H,4H2,1-3H3
InChIKeyMPZRZOTXZBEGDA-UHFFFAOYSA-N
XLogP4.25
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethoxyphenyl)-5-hydroxy-2-methylindol-3-yl]ethanone?
The IUPAC name of 1-[1-(4-ethoxyphenyl)-5-hydroxy-2-methylindol-3-yl]ethanone (CID 786617) is 1-[1-(4-ethoxyphenyl)-5-hydroxy-2-methylindol-3-yl]ethanone.
What is the SMILES notation for 1-[1-(4-ethoxyphenyl)-5-hydroxy-2-methylindol-3-yl]ethanone?
The canonical SMILES for 1-[1-(4-ethoxyphenyl)-5-hydroxy-2-methylindol-3-yl]ethanone is CCOc1ccc(-n2c(C)c(C(C)=O)c3cc(O)ccc32)cc1.
What is the InChIKey of 1-[1-(4-ethoxyphenyl)-5-hydroxy-2-methylindol-3-yl]ethanone?
The InChIKey is MPZRZOTXZBEGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-4-23-16-8-5-14(6-9-16)20-12(2)19(13(3)21)17-11-15(22)7-10-18(17)20/h5-11,22H,4H2,1-3H3.
What are the key properties of 1-[1-(4-ethoxyphenyl)-5-hydroxy-2-methylindol-3-yl]ethanone?
1-[1-(4-ethoxyphenyl)-5-hydroxy-2-methylindol-3-yl]ethanone has a molecular weight of 309.37 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethoxyphenyl)-5-hydroxy-2-methylindol-3-yl]ethanone is sourced from PubChem (CID 786617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).