2-ethyl-1-(1-ethyl-5-methylindol-2-yl)-4-phenylbut-3-yn-1-ol

C23H25NO — CID 135073190

IUPAC2-ethyl-1-(1-ethyl-5-methylindol-2-yl)-4-phenylbut-3-yn-1-ol
SMILESCCC(C#Cc1ccccc1)C(O)c1cc2cc(C)ccc2n1CC
InChIInChI=1S/C23H25NO/c1-4-19(13-12-18-9-7-6-8-10-18)23(25)22-16-20-15-17(3)11-14-21(20)24(22)5-2/h6-11,14-16,19,23,25H,4-5H2,1-3H3
InChIKeyHSNHBOLMRMMJOT-UHFFFAOYSA-N
MW331.46 g/mol
LogP5.08
Rot. Bonds4

About 2-ethyl-1-(1-ethyl-5-methylindol-2-yl)-4-phenylbut-3-yn-1-ol

2-ethyl-1-(1-ethyl-5-methylindol-2-yl)-4-phenylbut-3-yn-1-ol (PubChem CID 135073190) has the molecular formula C23H25NO and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-ethyl-1-(1-ethyl-5-methylindol-2-yl)-4-phenylbut-3-yn-1-ol.

Molecular Properties

Compound Name2-ethyl-1-(1-ethyl-5-methylindol-2-yl)-4-phenylbut-3-yn-1-ol
PubChem CID135073190
Molecular FormulaC23H25NO
Molecular Weight331.46 g/mol
Exact Mass331.19
IUPAC Name2-ethyl-1-(1-ethyl-5-methylindol-2-yl)-4-phenylbut-3-yn-1-ol
SMILESCCC(C#Cc1ccccc1)C(O)c1cc2cc(C)ccc2n1CC
InChIInChI=1S/C23H25NO/c1-4-19(13-12-18-9-7-6-8-10-18)23(25)22-16-20-15-17(3)11-14-21(20)24(22)5-2/h6-11,14-16,19,23,25H,4-5H2,1-3H3
InChIKeyHSNHBOLMRMMJOT-UHFFFAOYSA-N
XLogP5.08
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.46
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(1-ethyl-5-methylindol-2-yl)-4-phenylbut-3-yn-1-ol?
The IUPAC name of 2-ethyl-1-(1-ethyl-5-methylindol-2-yl)-4-phenylbut-3-yn-1-ol (CID 135073190) is 2-ethyl-1-(1-ethyl-5-methylindol-2-yl)-4-phenylbut-3-yn-1-ol.
What is the SMILES notation for 2-ethyl-1-(1-ethyl-5-methylindol-2-yl)-4-phenylbut-3-yn-1-ol?
The canonical SMILES for 2-ethyl-1-(1-ethyl-5-methylindol-2-yl)-4-phenylbut-3-yn-1-ol is CCC(C#Cc1ccccc1)C(O)c1cc2cc(C)ccc2n1CC.
What is the InChIKey of 2-ethyl-1-(1-ethyl-5-methylindol-2-yl)-4-phenylbut-3-yn-1-ol?
The InChIKey is HSNHBOLMRMMJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO/c1-4-19(13-12-18-9-7-6-8-10-18)23(25)22-16-20-15-17(3)11-14-21(20)24(22)5-2/h6-11,14-16,19,23,25H,4-5H2,1-3H3.
What are the key properties of 2-ethyl-1-(1-ethyl-5-methylindol-2-yl)-4-phenylbut-3-yn-1-ol?
2-ethyl-1-(1-ethyl-5-methylindol-2-yl)-4-phenylbut-3-yn-1-ol has a molecular weight of 331.46 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(1-ethyl-5-methylindol-2-yl)-4-phenylbut-3-yn-1-ol is sourced from PubChem (CID 135073190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).