1-(1-ethyl-7-methylindol-2-yl)-2-methyl-4-phenylbut-3-yn-1-ol

C22H23NO — CID 135072570

IUPAC1-(1-ethyl-7-methylindol-2-yl)-2-methyl-4-phenylbut-3-yn-1-ol
SMILESCCn1c(C(O)C(C)C#Cc2ccccc2)cc2cccc(C)c21
InChIInChI=1S/C22H23NO/c1-4-23-20(15-19-12-8-9-16(2)21(19)23)22(24)17(3)13-14-18-10-6-5-7-11-18/h5-12,15,17,22,24H,4H2,1-3H3
InChIKeyVIZJZAGYYMCJBH-UHFFFAOYSA-N
MW317.43 g/mol
LogP4.69
Rot. Bonds3

About 1-(1-ethyl-7-methylindol-2-yl)-2-methyl-4-phenylbut-3-yn-1-ol

1-(1-ethyl-7-methylindol-2-yl)-2-methyl-4-phenylbut-3-yn-1-ol (PubChem CID 135072570) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-(1-ethyl-7-methylindol-2-yl)-2-methyl-4-phenylbut-3-yn-1-ol.

Molecular Properties

Compound Name1-(1-ethyl-7-methylindol-2-yl)-2-methyl-4-phenylbut-3-yn-1-ol
PubChem CID135072570
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC Name1-(1-ethyl-7-methylindol-2-yl)-2-methyl-4-phenylbut-3-yn-1-ol
SMILESCCn1c(C(O)C(C)C#Cc2ccccc2)cc2cccc(C)c21
InChIInChI=1S/C22H23NO/c1-4-23-20(15-19-12-8-9-16(2)21(19)23)22(24)17(3)13-14-18-10-6-5-7-11-18/h5-12,15,17,22,24H,4H2,1-3H3
InChIKeyVIZJZAGYYMCJBH-UHFFFAOYSA-N
XLogP4.69
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.69
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 1-(1-ethyl-7-methylindol-2-yl)-2-methyl-4-phenylbut-3-yn-1-ol?
The IUPAC name of 1-(1-ethyl-7-methylindol-2-yl)-2-methyl-4-phenylbut-3-yn-1-ol (CID 135072570) is 1-(1-ethyl-7-methylindol-2-yl)-2-methyl-4-phenylbut-3-yn-1-ol.
What is the SMILES notation for 1-(1-ethyl-7-methylindol-2-yl)-2-methyl-4-phenylbut-3-yn-1-ol?
The canonical SMILES for 1-(1-ethyl-7-methylindol-2-yl)-2-methyl-4-phenylbut-3-yn-1-ol is CCn1c(C(O)C(C)C#Cc2ccccc2)cc2cccc(C)c21.
What is the InChIKey of 1-(1-ethyl-7-methylindol-2-yl)-2-methyl-4-phenylbut-3-yn-1-ol?
The InChIKey is VIZJZAGYYMCJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO/c1-4-23-20(15-19-12-8-9-16(2)21(19)23)22(24)17(3)13-14-18-10-6-5-7-11-18/h5-12,15,17,22,24H,4H2,1-3H3.
What are the key properties of 1-(1-ethyl-7-methylindol-2-yl)-2-methyl-4-phenylbut-3-yn-1-ol?
1-(1-ethyl-7-methylindol-2-yl)-2-methyl-4-phenylbut-3-yn-1-ol has a molecular weight of 317.43 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-7-methylindol-2-yl)-2-methyl-4-phenylbut-3-yn-1-ol is sourced from PubChem (CID 135072570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).