(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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Related Compounds

[(3S)-3-(2-phenylethyl)pent-4-en-1-ynyl]benzene
CID 135061979
8-phenyloct-4-yne-1,6-diol
CID 101480426
1-(1,5-diphenylpent-1-yn-3-yl)pyrrolidine
CID 142730750
10-hydroxy-12-phenyldodec-11-ynal
CID 15445350
methyl (4S)-4-hydroxy-6-phenylhex-5-ynoate
CID 15659536
(1R)-1,3-diphenylpropan-1-ol
CID 11845542
(3S,5R)-1-phenylundec-1-yne-3,5-diol
CID 101380795
1-(4-butylphenyl)oct-1-yn-3-ol
CID 146002782
(4S)-4-hydroxy-6-phenylhex-5-yn-2-one
CID 130635679
1,5-diphenylpentan-3-ol;hydrochloride
CID 139805992
(3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride
CID 67941860
1-(4-phenylphenyl)oct-1-yn-3-ol
CID 146002722

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).