1,5-diphenylpenta-1,4-diyn-3-ol

C17H12O — CID 568438

IUPAC1,5-diphenylpenta-1,4-diyn-3-ol
SMILESOC(C#Cc1ccccc1)C#Cc1ccccc1
InChIInChI=1S/C17H12O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-10,17-18H
InChIKeyZEECGOMCOVMMME-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.45
Rot. Bonds

About 1,5-diphenylpenta-1,4-diyn-3-ol

1,5-diphenylpenta-1,4-diyn-3-ol (PubChem CID 568438) has the molecular formula C17H12O and a molecular weight of 232.28 g/mol. Its IUPAC name is 1,5-diphenylpenta-1,4-diyn-3-ol.

Molecular Properties

Compound Name1,5-diphenylpenta-1,4-diyn-3-ol
PubChem CID568438
Molecular FormulaC17H12O
Molecular Weight232.28 g/mol
Exact Mass232.09
IUPAC Name1,5-diphenylpenta-1,4-diyn-3-ol
SMILESOC(C#Cc1ccccc1)C#Cc1ccccc1
InChIInChI=1S/C17H12O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-10,17-18H
InChIKeyZEECGOMCOVMMME-UHFFFAOYSA-N
XLogP2.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1,5-diphenylpenta-1,4-diyn-3-ol?
The IUPAC name of 1,5-diphenylpenta-1,4-diyn-3-ol (CID 568438) is 1,5-diphenylpenta-1,4-diyn-3-ol.
What is the SMILES notation for 1,5-diphenylpenta-1,4-diyn-3-ol?
The canonical SMILES for 1,5-diphenylpenta-1,4-diyn-3-ol is OC(C#Cc1ccccc1)C#Cc1ccccc1.
What is the InChIKey of 1,5-diphenylpenta-1,4-diyn-3-ol?
The InChIKey is ZEECGOMCOVMMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-10,17-18H.
What are the key properties of 1,5-diphenylpenta-1,4-diyn-3-ol?
1,5-diphenylpenta-1,4-diyn-3-ol has a molecular weight of 232.28 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diphenylpenta-1,4-diyn-3-ol is sourced from PubChem (CID 568438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).