1-(4-chlorophenyl)-5-phenylpent-4-yn-1-one

C17H13ClO — CID 132582626

IUPAC1-(4-chlorophenyl)-5-phenylpent-4-yn-1-one
SMILESO=C(CCC#Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClO/c18-16-12-10-15(11-13-16)17(19)9-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,10-13H,5,9H2
InChIKeyOFPUIPNTKOWBGF-UHFFFAOYSA-N
MW268.74 g/mol
LogP4.35
Rot. Bonds3

About 1-(4-chlorophenyl)-5-phenylpent-4-yn-1-one

1-(4-chlorophenyl)-5-phenylpent-4-yn-1-one (PubChem CID 132582626) has the molecular formula C17H13ClO and a molecular weight of 268.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-phenylpent-4-yn-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-phenylpent-4-yn-1-one
PubChem CID132582626
Molecular FormulaC17H13ClO
Molecular Weight268.74 g/mol
Exact Mass268.07
IUPAC Name1-(4-chlorophenyl)-5-phenylpent-4-yn-1-one
SMILESO=C(CCC#Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClO/c18-16-12-10-15(11-13-16)17(19)9-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,10-13H,5,9H2
InChIKeyOFPUIPNTKOWBGF-UHFFFAOYSA-N
XLogP4.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 54.35
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-(4-chlorophenyl)-2-oxoethyl]-diethyl-(3-phenylprop-2-ynyl)azanium bromide
CID 146050956
2-(benzenesulfinyl)-1-[4-[9-(4-chlorophenyl)non-8-ynylamino]phenyl]ethanone
CID 54178690
(3S)-1-(4-chlorophenyl)-5-phenyl-3-(trifluoromethyl)pent-4-yn-1-one
CID 162539733
1-chloro-4-(3-phenylprop-2-ynyl)benzene
CID 71393321
4-[4-(4-chlorophenyl)-4-oxobutanoyl]benzonitrile
CID 135368287
2-(4-chlorophenyl)-5-phenylpent-4-ynoic acid
CID 79440157
2-amino-1-(4-chlorophenyl)ethanone;chlorobenzene
CID 174473009
4-[3-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]prop-1-ynyl]benzamide
CID 90549694
[2-(3-phenylprop-2-ynoyl)phenyl] 4-chlorobenzoate
CID 102363049
7-phenylhept-6-yn-2-one
CID 11084575
2-(4-chlorophenyl)-N-(3-phenylprop-2-ynyl)acetamide
CID 51325787
(2E)-2-benzylidene-1-(4-chlorophenyl)-4-phenylbut-3-yn-1-one
CID 44632248

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-phenylpent-4-yn-1-one?
The IUPAC name of 1-(4-chlorophenyl)-5-phenylpent-4-yn-1-one (CID 132582626) is 1-(4-chlorophenyl)-5-phenylpent-4-yn-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-5-phenylpent-4-yn-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-5-phenylpent-4-yn-1-one is O=C(CCC#Cc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-phenylpent-4-yn-1-one?
The InChIKey is OFPUIPNTKOWBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClO/c18-16-12-10-15(11-13-16)17(19)9-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,10-13H,5,9H2.
What are the key properties of 1-(4-chlorophenyl)-5-phenylpent-4-yn-1-one?
1-(4-chlorophenyl)-5-phenylpent-4-yn-1-one has a molecular weight of 268.74 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-phenylpent-4-yn-1-one is sourced from PubChem (CID 132582626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).