1-(2-methyl-1-phenyl-5-propan-2-yloxyindol-3-yl)ethanone

C20H21NO2 — CID 46891659

IUPAC1-(2-methyl-1-phenyl-5-propan-2-yloxyindol-3-yl)ethanone
SMILESCC(=O)c1c(C)n(-c2ccccc2)c2ccc(OC(C)C)cc12
InChIInChI=1S/C20H21NO2/c1-13(2)23-17-10-11-19-18(12-17)20(15(4)22)14(3)21(19)16-8-6-5-7-9-16/h5-13H,1-4H3
InChIKeyYBULQDZROCRJIQ-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.93
Rot. Bonds4

About 1-(2-methyl-1-phenyl-5-propan-2-yloxyindol-3-yl)ethanone

1-(2-methyl-1-phenyl-5-propan-2-yloxyindol-3-yl)ethanone (PubChem CID 46891659) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-(2-methyl-1-phenyl-5-propan-2-yloxyindol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-1-phenyl-5-propan-2-yloxyindol-3-yl)ethanone
PubChem CID46891659
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name1-(2-methyl-1-phenyl-5-propan-2-yloxyindol-3-yl)ethanone
SMILESCC(=O)c1c(C)n(-c2ccccc2)c2ccc(OC(C)C)cc12
InChIInChI=1S/C20H21NO2/c1-13(2)23-17-10-11-19-18(12-17)20(15(4)22)14(3)21(19)16-8-6-5-7-9-16/h5-13H,1-4H3
InChIKeyYBULQDZROCRJIQ-UHFFFAOYSA-N
XLogP4.93
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1-phenyl-5-propan-2-yloxyindol-3-yl)ethanone?
The IUPAC name of 1-(2-methyl-1-phenyl-5-propan-2-yloxyindol-3-yl)ethanone (CID 46891659) is 1-(2-methyl-1-phenyl-5-propan-2-yloxyindol-3-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-1-phenyl-5-propan-2-yloxyindol-3-yl)ethanone?
The canonical SMILES for 1-(2-methyl-1-phenyl-5-propan-2-yloxyindol-3-yl)ethanone is CC(=O)c1c(C)n(-c2ccccc2)c2ccc(OC(C)C)cc12.
What is the InChIKey of 1-(2-methyl-1-phenyl-5-propan-2-yloxyindol-3-yl)ethanone?
The InChIKey is YBULQDZROCRJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-13(2)23-17-10-11-19-18(12-17)20(15(4)22)14(3)21(19)16-8-6-5-7-9-16/h5-13H,1-4H3.
What are the key properties of 1-(2-methyl-1-phenyl-5-propan-2-yloxyindol-3-yl)ethanone?
1-(2-methyl-1-phenyl-5-propan-2-yloxyindol-3-yl)ethanone has a molecular weight of 307.39 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1-phenyl-5-propan-2-yloxyindol-3-yl)ethanone is sourced from PubChem (CID 46891659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).