(2R,3R)-2-ethyl-1,3-diphenylpent-4-yn-1-one

C19H18O — CID 122219287

IUPAC(2R,3R)-2-ethyl-1,3-diphenylpent-4-yn-1-one
SMILESC#C[C@H](c1ccccc1)[C@@H](CC)C(=O)c1ccccc1
InChIInChI=1S/C19H18O/c1-3-17(15-11-7-5-8-12-15)18(4-2)19(20)16-13-9-6-10-14-16/h1,5-14,17-18H,4H2,2H3/t17-,18-/m1/s1
InChIKeyLRBZCHLCJDBONL-QZTJIDSGSA-N
MW262.35 g/mol
LogP4.31
Rot. Bonds5

About (2R,3R)-2-ethyl-1,3-diphenylpent-4-yn-1-one

(2R,3R)-2-ethyl-1,3-diphenylpent-4-yn-1-one (PubChem CID 122219287) has the molecular formula C19H18O and a molecular weight of 262.35 g/mol. Its IUPAC name is (2R,3R)-2-ethyl-1,3-diphenylpent-4-yn-1-one.

Molecular Properties

Compound Name(2R,3R)-2-ethyl-1,3-diphenylpent-4-yn-1-one
PubChem CID122219287
Molecular FormulaC19H18O
Molecular Weight262.35 g/mol
Exact Mass262.14
IUPAC Name(2R,3R)-2-ethyl-1,3-diphenylpent-4-yn-1-one
SMILESC#C[C@H](c1ccccc1)[C@@H](CC)C(=O)c1ccccc1
InChIInChI=1S/C19H18O/c1-3-17(15-11-7-5-8-12-15)18(4-2)19(20)16-13-9-6-10-14-16/h1,5-14,17-18H,4H2,2H3/t17-,18-/m1/s1
InChIKeyLRBZCHLCJDBONL-QZTJIDSGSA-N
XLogP4.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-benzyl-3-phenylpent-4-ynoic acid
CID 22215055
2-ethyl-1,3-diphenylpropane-1,3-dione
CID 10514968
(2S,3R)-2-ethyl-3-hydroxy-4-methyl-1-phenylpentan-1-one
CID 15750969
(2S)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]-1-phenylbutan-1-one
CID 134934694
2-ethyl-3-methoxy-1,4-diphenylbutane-1,4-dione
CID 173016396
(2S)-1-phenyl-2-[(S)-phenyl(triethylsilyloxy)methyl]butan-1-one
CID 101269774
(2S)-2-[(R)-hydroxy(phenyl)methyl]-1-phenylpentan-1-one
CID 14448660
(1-ethynyl-2-phenylhexyl)benzene
CID 172706248
2-methyl-5-phenylhept-6-yn-3-one
CID 15912193
(3S)-1-(4-fluorophenyl)-3-phenylpent-4-yn-1-one
CID 11982832
ethyl (2R,3R)-2-benzoyl-3-(2-methylphenyl)pent-4-ynoate
CID 134849604
(3R)-1,3-diphenylpentan-1-one
CID 11042799

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-ethyl-1,3-diphenylpent-4-yn-1-one?
The IUPAC name of (2R,3R)-2-ethyl-1,3-diphenylpent-4-yn-1-one (CID 122219287) is (2R,3R)-2-ethyl-1,3-diphenylpent-4-yn-1-one.
What is the SMILES notation for (2R,3R)-2-ethyl-1,3-diphenylpent-4-yn-1-one?
The canonical SMILES for (2R,3R)-2-ethyl-1,3-diphenylpent-4-yn-1-one is C#C[C@H](c1ccccc1)[C@@H](CC)C(=O)c1ccccc1.
What is the InChIKey of (2R,3R)-2-ethyl-1,3-diphenylpent-4-yn-1-one?
The InChIKey is LRBZCHLCJDBONL-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H18O/c1-3-17(15-11-7-5-8-12-15)18(4-2)19(20)16-13-9-6-10-14-16/h1,5-14,17-18H,4H2,2H3/t17-,18-/m1/s1.
What are the key properties of (2R,3R)-2-ethyl-1,3-diphenylpent-4-yn-1-one?
(2R,3R)-2-ethyl-1,3-diphenylpent-4-yn-1-one has a molecular weight of 262.35 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-ethyl-1,3-diphenylpent-4-yn-1-one is sourced from PubChem (CID 122219287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).