1-(1-ethyl-4-methylindol-2-yl)-2-methyloct-3-yn-1-ol

C20H27NO — CID 135072119

IUPAC1-(1-ethyl-4-methylindol-2-yl)-2-methyloct-3-yn-1-ol
SMILESCCCCC#CC(C)C(O)c1cc2c(C)cccc2n1CC
InChIInChI=1S/C20H27NO/c1-5-7-8-9-11-16(4)20(22)19-14-17-15(3)12-10-13-18(17)21(19)6-2/h10,12-14,16,20,22H,5-8H2,1-4H3
InChIKeyFSUCFONIJOQBHL-UHFFFAOYSA-N
MW297.44 g/mol
LogP4.83
Rot. Bonds5

About 1-(1-ethyl-4-methylindol-2-yl)-2-methyloct-3-yn-1-ol

1-(1-ethyl-4-methylindol-2-yl)-2-methyloct-3-yn-1-ol (PubChem CID 135072119) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is 1-(1-ethyl-4-methylindol-2-yl)-2-methyloct-3-yn-1-ol.

Molecular Properties

Compound Name1-(1-ethyl-4-methylindol-2-yl)-2-methyloct-3-yn-1-ol
PubChem CID135072119
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name1-(1-ethyl-4-methylindol-2-yl)-2-methyloct-3-yn-1-ol
SMILESCCCCC#CC(C)C(O)c1cc2c(C)cccc2n1CC
InChIInChI=1S/C20H27NO/c1-5-7-8-9-11-16(4)20(22)19-14-17-15(3)12-10-13-18(17)21(19)6-2/h10,12-14,16,20,22H,5-8H2,1-4H3
InChIKeyFSUCFONIJOQBHL-UHFFFAOYSA-N
XLogP4.83
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-4-methylindol-2-yl)-2-methyloct-3-yn-1-ol?
The IUPAC name of 1-(1-ethyl-4-methylindol-2-yl)-2-methyloct-3-yn-1-ol (CID 135072119) is 1-(1-ethyl-4-methylindol-2-yl)-2-methyloct-3-yn-1-ol.
What is the SMILES notation for 1-(1-ethyl-4-methylindol-2-yl)-2-methyloct-3-yn-1-ol?
The canonical SMILES for 1-(1-ethyl-4-methylindol-2-yl)-2-methyloct-3-yn-1-ol is CCCCC#CC(C)C(O)c1cc2c(C)cccc2n1CC.
What is the InChIKey of 1-(1-ethyl-4-methylindol-2-yl)-2-methyloct-3-yn-1-ol?
The InChIKey is FSUCFONIJOQBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-5-7-8-9-11-16(4)20(22)19-14-17-15(3)12-10-13-18(17)21(19)6-2/h10,12-14,16,20,22H,5-8H2,1-4H3.
What are the key properties of 1-(1-ethyl-4-methylindol-2-yl)-2-methyloct-3-yn-1-ol?
1-(1-ethyl-4-methylindol-2-yl)-2-methyloct-3-yn-1-ol has a molecular weight of 297.44 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-4-methylindol-2-yl)-2-methyloct-3-yn-1-ol is sourced from PubChem (CID 135072119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).