8-(2-aminophenyl)octa-5,7-diyn-1-ol

C14H15NO — CID 102197166

IUPAC8-(2-aminophenyl)octa-5,7-diyn-1-ol
SMILESNc1ccccc1C#CC#CCCCCO
InChIInChI=1S/C14H15NO/c15-14-11-7-6-10-13(14)9-5-3-1-2-4-8-12-16/h6-7,10-11,16H,2,4,8,12,15H2
InChIKeyLYSFMHBPQIPJHA-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.79
Rot. Bonds3

About 8-(2-aminophenyl)octa-5,7-diyn-1-ol

8-(2-aminophenyl)octa-5,7-diyn-1-ol (PubChem CID 102197166) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 8-(2-aminophenyl)octa-5,7-diyn-1-ol.

Molecular Properties

Compound Name8-(2-aminophenyl)octa-5,7-diyn-1-ol
PubChem CID102197166
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name8-(2-aminophenyl)octa-5,7-diyn-1-ol
SMILESNc1ccccc1C#CC#CCCCCO
InChIInChI=1S/C14H15NO/c15-14-11-7-6-10-13(14)9-5-3-1-2-4-8-12-16/h6-7,10-11,16H,2,4,8,12,15H2
InChIKeyLYSFMHBPQIPJHA-UHFFFAOYSA-N
XLogP1.79
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(2-aminophenyl)octa-5,7-diyn-1-ol?
The IUPAC name of 8-(2-aminophenyl)octa-5,7-diyn-1-ol (CID 102197166) is 8-(2-aminophenyl)octa-5,7-diyn-1-ol.
What is the SMILES notation for 8-(2-aminophenyl)octa-5,7-diyn-1-ol?
The canonical SMILES for 8-(2-aminophenyl)octa-5,7-diyn-1-ol is Nc1ccccc1C#CC#CCCCCO.
What is the InChIKey of 8-(2-aminophenyl)octa-5,7-diyn-1-ol?
The InChIKey is LYSFMHBPQIPJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c15-14-11-7-6-10-13(14)9-5-3-1-2-4-8-12-16/h6-7,10-11,16H,2,4,8,12,15H2.
What are the key properties of 8-(2-aminophenyl)octa-5,7-diyn-1-ol?
8-(2-aminophenyl)octa-5,7-diyn-1-ol has a molecular weight of 213.28 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-aminophenyl)octa-5,7-diyn-1-ol is sourced from PubChem (CID 102197166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).