1-(1-butyl-4,7-dimethylindol-3-yl)ethanol

C16H23NO — CID 83944914

IUPAC1-(1-butyl-4,7-dimethylindol-3-yl)ethanol
SMILESCCCCn1cc(C(C)O)c2c(C)ccc(C)c21
InChIInChI=1S/C16H23NO/c1-5-6-9-17-10-14(13(4)18)15-11(2)7-8-12(3)16(15)17/h7-8,10,13,18H,5-6,9H2,1-4H3
InChIKeyYCFSXUFSNWYULF-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.11
Rot. Bonds4

About 1-(1-butyl-4,7-dimethylindol-3-yl)ethanol

1-(1-butyl-4,7-dimethylindol-3-yl)ethanol (PubChem CID 83944914) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(1-butyl-4,7-dimethylindol-3-yl)ethanol.

Molecular Properties

Compound Name1-(1-butyl-4,7-dimethylindol-3-yl)ethanol
PubChem CID83944914
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-(1-butyl-4,7-dimethylindol-3-yl)ethanol
SMILESCCCCn1cc(C(C)O)c2c(C)ccc(C)c21
InChIInChI=1S/C16H23NO/c1-5-6-9-17-10-14(13(4)18)15-11(2)7-8-12(3)16(15)17/h7-8,10,13,18H,5-6,9H2,1-4H3
InChIKeyYCFSXUFSNWYULF-UHFFFAOYSA-N
XLogP4.11
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-butyl-4,7-dimethylindol-3-yl)ethanol?
The IUPAC name of 1-(1-butyl-4,7-dimethylindol-3-yl)ethanol (CID 83944914) is 1-(1-butyl-4,7-dimethylindol-3-yl)ethanol.
What is the SMILES notation for 1-(1-butyl-4,7-dimethylindol-3-yl)ethanol?
The canonical SMILES for 1-(1-butyl-4,7-dimethylindol-3-yl)ethanol is CCCCn1cc(C(C)O)c2c(C)ccc(C)c21.
What is the InChIKey of 1-(1-butyl-4,7-dimethylindol-3-yl)ethanol?
The InChIKey is YCFSXUFSNWYULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-5-6-9-17-10-14(13(4)18)15-11(2)7-8-12(3)16(15)17/h7-8,10,13,18H,5-6,9H2,1-4H3.
What are the key properties of 1-(1-butyl-4,7-dimethylindol-3-yl)ethanol?
1-(1-butyl-4,7-dimethylindol-3-yl)ethanol has a molecular weight of 245.37 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butyl-4,7-dimethylindol-3-yl)ethanol is sourced from PubChem (CID 83944914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).