5-(2,4,6-triethylphenyl)pent-4-yn-1-ol

C17H24O — CID 113374407

IUPAC5-(2,4,6-triethylphenyl)pent-4-yn-1-ol
SMILESCCc1cc(CC)c(C#CCCCO)c(CC)c1
InChIInChI=1S/C17H24O/c1-4-14-12-15(5-2)17(16(6-3)13-14)10-8-7-9-11-18/h12-13,18H,4-7,9,11H2,1-3H3
InChIKeySWUYUVJSJUZRIC-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.50
Rot. Bonds5

About 5-(2,4,6-triethylphenyl)pent-4-yn-1-ol

5-(2,4,6-triethylphenyl)pent-4-yn-1-ol (PubChem CID 113374407) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 5-(2,4,6-triethylphenyl)pent-4-yn-1-ol.

Molecular Properties

Compound Name5-(2,4,6-triethylphenyl)pent-4-yn-1-ol
PubChem CID113374407
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name5-(2,4,6-triethylphenyl)pent-4-yn-1-ol
SMILESCCc1cc(CC)c(C#CCCCO)c(CC)c1
InChIInChI=1S/C17H24O/c1-4-14-12-15(5-2)17(16(6-3)13-14)10-8-7-9-11-18/h12-13,18H,4-7,9,11H2,1-3H3
InChIKeySWUYUVJSJUZRIC-UHFFFAOYSA-N
XLogP3.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 5-(2,4,6-triethylphenyl)pent-4-yn-1-ol?
The IUPAC name of 5-(2,4,6-triethylphenyl)pent-4-yn-1-ol (CID 113374407) is 5-(2,4,6-triethylphenyl)pent-4-yn-1-ol.
What is the SMILES notation for 5-(2,4,6-triethylphenyl)pent-4-yn-1-ol?
The canonical SMILES for 5-(2,4,6-triethylphenyl)pent-4-yn-1-ol is CCc1cc(CC)c(C#CCCCO)c(CC)c1.
What is the InChIKey of 5-(2,4,6-triethylphenyl)pent-4-yn-1-ol?
The InChIKey is SWUYUVJSJUZRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-4-14-12-15(5-2)17(16(6-3)13-14)10-8-7-9-11-18/h12-13,18H,4-7,9,11H2,1-3H3.
What are the key properties of 5-(2,4,6-triethylphenyl)pent-4-yn-1-ol?
5-(2,4,6-triethylphenyl)pent-4-yn-1-ol has a molecular weight of 244.38 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4,6-triethylphenyl)pent-4-yn-1-ol is sourced from PubChem (CID 113374407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).