1,5-diphenylpent-2-yne-1,5-diol

C17H16O2 — CID 581819

IUPAC1,5-diphenylpent-2-yne-1,5-diol
SMILESOC(C#CCC(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O2/c18-16(14-8-3-1-4-9-14)12-7-13-17(19)15-10-5-2-6-11-15/h1-6,8-11,16-19H,12H2
InChIKeyAACXPCUAXFNPCT-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.85
Rot. Bonds3

About 1,5-diphenylpent-2-yne-1,5-diol

1,5-diphenylpent-2-yne-1,5-diol (PubChem CID 581819) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1,5-diphenylpent-2-yne-1,5-diol.

Molecular Properties

Compound Name1,5-diphenylpent-2-yne-1,5-diol
PubChem CID581819
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name1,5-diphenylpent-2-yne-1,5-diol
SMILESOC(C#CCC(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O2/c18-16(14-8-3-1-4-9-14)12-7-13-17(19)15-10-5-2-6-11-15/h1-6,8-11,16-19H,12H2
InChIKeyAACXPCUAXFNPCT-UHFFFAOYSA-N
XLogP2.85
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-phenyloct-3-yne-1,8-diol
CID 102281074
(1R)-1,5-diphenylpent-2-yn-1-ol
CID 15880987
3-phenylprop-1-yne-1,3-diol
CID 67894112
4-(4-chlorophenyl)-1-phenylbut-3-yn-1-ol
CID 166064511
1-phenyl-4-piperidin-1-ylbut-2-yn-1-ol
CID 2840251
(Z,1S,8R)-1,8-diphenyloct-4-en-2,6-diyne-1,8-diol
CID 11029274
4-hydroxy-4-phenylbut-2-ynoic acid
CID 71381701
3-ethylsulfanyl-1-phenylprop-2-yn-1-ol
CID 130122146
bis(1,3-diphenylpropane-1,3-diol);nickel
CID 5232029
4-(dicyclohexylamino)-1-phenylbut-2-yn-1-ol
CID 101372468
(1R)-4,4-diethoxy-1-phenylbut-2-yn-1-ol
CID 95737739
(1R)-1,2-diphenylethanol
CID 1379022

Frequently Asked Questions

What is the IUPAC name of 1,5-diphenylpent-2-yne-1,5-diol?
The IUPAC name of 1,5-diphenylpent-2-yne-1,5-diol (CID 581819) is 1,5-diphenylpent-2-yne-1,5-diol.
What is the SMILES notation for 1,5-diphenylpent-2-yne-1,5-diol?
The canonical SMILES for 1,5-diphenylpent-2-yne-1,5-diol is OC(C#CCC(O)c1ccccc1)c1ccccc1.
What is the InChIKey of 1,5-diphenylpent-2-yne-1,5-diol?
The InChIKey is AACXPCUAXFNPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c18-16(14-8-3-1-4-9-14)12-7-13-17(19)15-10-5-2-6-11-15/h1-6,8-11,16-19H,12H2.
What are the key properties of 1,5-diphenylpent-2-yne-1,5-diol?
1,5-diphenylpent-2-yne-1,5-diol has a molecular weight of 252.31 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diphenylpent-2-yne-1,5-diol is sourced from PubChem (CID 581819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).