1-(1-benzyl-5-hydroxy-2-methylindol-3-yl)ethanone

C18H17NO2 — CID 742152

IUPAC1-(1-benzyl-5-hydroxy-2-methylindol-3-yl)ethanone
SMILESCC(=O)c1c(C)n(Cc2ccccc2)c2ccc(O)cc12
InChIInChI=1S/C18H17NO2/c1-12-18(13(2)20)16-10-15(21)8-9-17(16)19(12)11-14-6-4-3-5-7-14/h3-10,21H,11H2,1-2H3
InChIKeyULFKTRMEKNZDRI-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.91
Rot. Bonds3

About 1-(1-benzyl-5-hydroxy-2-methylindol-3-yl)ethanone

1-(1-benzyl-5-hydroxy-2-methylindol-3-yl)ethanone (PubChem CID 742152) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(1-benzyl-5-hydroxy-2-methylindol-3-yl)ethanone.

Molecular Properties

Compound Name1-(1-benzyl-5-hydroxy-2-methylindol-3-yl)ethanone
PubChem CID742152
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name1-(1-benzyl-5-hydroxy-2-methylindol-3-yl)ethanone
SMILESCC(=O)c1c(C)n(Cc2ccccc2)c2ccc(O)cc12
InChIInChI=1S/C18H17NO2/c1-12-18(13(2)20)16-10-15(21)8-9-17(16)19(12)11-14-6-4-3-5-7-14/h3-10,21H,11H2,1-2H3
InChIKeyULFKTRMEKNZDRI-UHFFFAOYSA-N
XLogP3.91
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-5-hydroxy-2-methylindol-3-yl)ethanone?
The IUPAC name of 1-(1-benzyl-5-hydroxy-2-methylindol-3-yl)ethanone (CID 742152) is 1-(1-benzyl-5-hydroxy-2-methylindol-3-yl)ethanone.
What is the SMILES notation for 1-(1-benzyl-5-hydroxy-2-methylindol-3-yl)ethanone?
The canonical SMILES for 1-(1-benzyl-5-hydroxy-2-methylindol-3-yl)ethanone is CC(=O)c1c(C)n(Cc2ccccc2)c2ccc(O)cc12.
What is the InChIKey of 1-(1-benzyl-5-hydroxy-2-methylindol-3-yl)ethanone?
The InChIKey is ULFKTRMEKNZDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-12-18(13(2)20)16-10-15(21)8-9-17(16)19(12)11-14-6-4-3-5-7-14/h3-10,21H,11H2,1-2H3.
What are the key properties of 1-(1-benzyl-5-hydroxy-2-methylindol-3-yl)ethanone?
1-(1-benzyl-5-hydroxy-2-methylindol-3-yl)ethanone has a molecular weight of 279.34 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-5-hydroxy-2-methylindol-3-yl)ethanone is sourced from PubChem (CID 742152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).