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

C17H16O — CID 95185650

IUPAC(3S)-1,3-diphenylpent-1-yn-3-ol
SMILESCC[C@@](O)(C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O/c1-2-17(18,16-11-7-4-8-12-16)14-13-15-9-5-3-6-10-15/h3-12,18H,2H2,1H3/t17-/m1/s1
InChIKeyVWWIOXWPPIIOET-QGZVFWFLSA-N
MW236.31 g/mol
LogP3.34
Rot. Bonds2

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

(3S)-1,3-diphenylpent-1-yn-3-ol (PubChem CID 95185650) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is (3S)-1,3-diphenylpent-1-yn-3-ol.

Molecular Properties

Compound Name(3S)-1,3-diphenylpent-1-yn-3-ol
PubChem CID95185650
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name(3S)-1,3-diphenylpent-1-yn-3-ol
SMILESCC[C@@](O)(C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O/c1-2-17(18,16-11-7-4-8-12-16)14-13-15-9-5-3-6-10-15/h3-12,18H,2H2,1H3/t17-/m1/s1
InChIKeyVWWIOXWPPIIOET-QGZVFWFLSA-N
XLogP3.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-ethyl-2,4-diphenylbut-3-yn-1-ol
CID 163297469
1-naphthalen-1-yl-2,4-diphenylbut-3-yn-2-ol
CID 102211002
bis(2,4-diphenylbut-3-yn-2-ol);platinum
CID 11061246
(3-ethyl-1-phenylpenta-1,4-diyn-3-yl)benzene
CID 91281470
3-ethyl-4-methyl-1-phenylpent-1-yn-3-ol
CID 13399450
(3S)-3-ethyl-1-phenylhept-1-yn-3-ol
CID 7010443
2,4-diphenylbut-3-yn-2-ylbenzene
CID 13072781
3-methyl-1-phenylpent-1-yn-3-amine
CID 127003696
2-(2-phenylethynyl)propane-1,2,3-triol
CID 166174399
2-amino-4-phenylbut-3-yn-2-ol
CID 143801475
N,N,3-triethyl-1-phenylpent-1-yn-3-amine
CID 11322491
4-fluoro-1,3-diphenylpent-1-yn-3-ol
CID 132850440

Frequently Asked Questions

What is the IUPAC name of (3S)-1,3-diphenylpent-1-yn-3-ol?
The IUPAC name of (3S)-1,3-diphenylpent-1-yn-3-ol (CID 95185650) is (3S)-1,3-diphenylpent-1-yn-3-ol.
What is the SMILES notation for (3S)-1,3-diphenylpent-1-yn-3-ol?
The canonical SMILES for (3S)-1,3-diphenylpent-1-yn-3-ol is CC[C@@](O)(C#Cc1ccccc1)c1ccccc1.
What is the InChIKey of (3S)-1,3-diphenylpent-1-yn-3-ol?
The InChIKey is VWWIOXWPPIIOET-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H16O/c1-2-17(18,16-11-7-4-8-12-16)14-13-15-9-5-3-6-10-15/h3-12,18H,2H2,1H3/t17-/m1/s1.
What are the key properties of (3S)-1,3-diphenylpent-1-yn-3-ol?
(3S)-1,3-diphenylpent-1-yn-3-ol has a molecular weight of 236.31 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,3-diphenylpent-1-yn-3-ol is sourced from PubChem (CID 95185650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).