(3S)-1,5-diphenylpent-1-yn-3-ol

C17H16O — CID 54756336

IUPAC(3S)-1,5-diphenylpent-1-yn-3-ol
SMILESO[C@H](C#Cc1ccccc1)CCc1ccccc1
InChIInChI=1S/C17H16O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-10,17-18H,11,13H2/t17-/m0/s1
InChIKeyOBVRSXITECTJTM-KRWDZBQOSA-N
MW236.31 g/mol
LogP3.03
Rot. Bonds3

About (3S)-1,5-diphenylpent-1-yn-3-ol

(3S)-1,5-diphenylpent-1-yn-3-ol (PubChem CID 54756336) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is (3S)-1,5-diphenylpent-1-yn-3-ol.

Molecular Properties

Compound Name(3S)-1,5-diphenylpent-1-yn-3-ol
PubChem CID54756336
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name(3S)-1,5-diphenylpent-1-yn-3-ol
SMILESO[C@H](C#Cc1ccccc1)CCc1ccccc1
InChIInChI=1S/C17H16O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-10,17-18H,11,13H2/t17-/m0/s1
InChIKeyOBVRSXITECTJTM-KRWDZBQOSA-N
XLogP3.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.03
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 (3S)-1,5-diphenylpent-1-yn-3-ol?
The IUPAC name of (3S)-1,5-diphenylpent-1-yn-3-ol (CID 54756336) is (3S)-1,5-diphenylpent-1-yn-3-ol.
What is the SMILES notation for (3S)-1,5-diphenylpent-1-yn-3-ol?
The canonical SMILES for (3S)-1,5-diphenylpent-1-yn-3-ol is O[C@H](C#Cc1ccccc1)CCc1ccccc1.
What is the InChIKey of (3S)-1,5-diphenylpent-1-yn-3-ol?
The InChIKey is OBVRSXITECTJTM-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H16O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-10,17-18H,11,13H2/t17-/m0/s1.
What are the key properties of (3S)-1,5-diphenylpent-1-yn-3-ol?
(3S)-1,5-diphenylpent-1-yn-3-ol has a molecular weight of 236.31 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,5-diphenylpent-1-yn-3-ol is sourced from PubChem (CID 54756336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).