2,3-dimethyl-1-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one

C17H23NO2 — CID 83163402

IUPAC2,3-dimethyl-1-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one
SMILESCC(C)Oc1cccc2[nH]cc(C(=O)C(C)C(C)C)c12
InChIInChI=1S/C17H23NO2/c1-10(2)12(5)17(19)13-9-18-14-7-6-8-15(16(13)14)20-11(3)4/h6-12,18H,1-5H3
InChIKeyBUMNOSDVMFMCME-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.43
Rot. Bonds5

About 2,3-dimethyl-1-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one

2,3-dimethyl-1-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one (PubChem CID 83163402) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2,3-dimethyl-1-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one.

Molecular Properties

Compound Name2,3-dimethyl-1-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one
PubChem CID83163402
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name2,3-dimethyl-1-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one
SMILESCC(C)Oc1cccc2[nH]cc(C(=O)C(C)C(C)C)c12
InChIInChI=1S/C17H23NO2/c1-10(2)12(5)17(19)13-9-18-14-7-6-8-15(16(13)14)20-11(3)4/h6-12,18H,1-5H3
InChIKeyBUMNOSDVMFMCME-UHFFFAOYSA-N
XLogP4.43
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one?
The IUPAC name of 2,3-dimethyl-1-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one (CID 83163402) is 2,3-dimethyl-1-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one.
What is the SMILES notation for 2,3-dimethyl-1-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one?
The canonical SMILES for 2,3-dimethyl-1-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one is CC(C)Oc1cccc2[nH]cc(C(=O)C(C)C(C)C)c12.
What is the InChIKey of 2,3-dimethyl-1-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one?
The InChIKey is BUMNOSDVMFMCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-10(2)12(5)17(19)13-9-18-14-7-6-8-15(16(13)14)20-11(3)4/h6-12,18H,1-5H3.
What are the key properties of 2,3-dimethyl-1-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one?
2,3-dimethyl-1-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one has a molecular weight of 273.38 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one is sourced from PubChem (CID 83163402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).