4-fluoro-1,3-diphenylpent-1-yn-3-ol

C17H15FO — CID 132850440

IUPAC4-fluoro-1,3-diphenylpent-1-yn-3-ol
SMILESCC(F)C(O)(C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H15FO/c1-14(18)17(19,16-10-6-3-7-11-16)13-12-15-8-4-2-5-9-15/h2-11,14,19H,1H3
InChIKeyXGDYUEXLCOMXMX-UHFFFAOYSA-N
MW254.30 g/mol
LogP3.28
Rot. Bonds2

About 4-fluoro-1,3-diphenylpent-1-yn-3-ol

4-fluoro-1,3-diphenylpent-1-yn-3-ol (PubChem CID 132850440) has the molecular formula C17H15FO and a molecular weight of 254.30 g/mol. Its IUPAC name is 4-fluoro-1,3-diphenylpent-1-yn-3-ol.

Molecular Properties

Compound Name4-fluoro-1,3-diphenylpent-1-yn-3-ol
PubChem CID132850440
Molecular FormulaC17H15FO
Molecular Weight254.30 g/mol
Exact Mass254.11
IUPAC Name4-fluoro-1,3-diphenylpent-1-yn-3-ol
SMILESCC(F)C(O)(C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H15FO/c1-14(18)17(19,16-10-6-3-7-11-16)13-12-15-8-4-2-5-9-15/h2-11,14,19H,1H3
InChIKeyXGDYUEXLCOMXMX-UHFFFAOYSA-N
XLogP3.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 53.28
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

bis(2,4-diphenylbut-3-yn-2-ol);platinum
CID 11061246
(3S)-1,3-diphenylpent-1-yn-3-ol
CID 95185650
2,4-diphenylbut-3-yn-2-ylbenzene
CID 13072781
N-(3-hydroxy-1,3,5-triphenylpent-4-yn-2-yl)-N,4-dimethylbenzenesulfonamide
CID 135072152
3-ethyl-4-methyl-1-phenylpent-1-yn-3-ol
CID 13399450
2-amino-4-phenylbut-3-yn-2-ol
CID 143801475
(2S)-2-ethyl-2,4-diphenylbut-3-yn-1-ol
CID 163297469
3-hydroxy-2,2-dimethyl-3,5-diphenylpent-4-ynoic acid
CID 102106699
4-(4-methylsulfanylphenyl)-2-phenylbut-3-yn-2-ol
CID 146003701
1-(4-methoxyphenyl)-1,3-diphenylprop-2-yn-1-ol
CID 2931271
1-(4-chlorophenyl)-1,3-diphenylprop-2-yn-1-ol
CID 46944475
methylsulfanylmethane;2-phenylethynylbenzene
CID 166709013

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1,3-diphenylpent-1-yn-3-ol?
The IUPAC name of 4-fluoro-1,3-diphenylpent-1-yn-3-ol (CID 132850440) is 4-fluoro-1,3-diphenylpent-1-yn-3-ol.
What is the SMILES notation for 4-fluoro-1,3-diphenylpent-1-yn-3-ol?
The canonical SMILES for 4-fluoro-1,3-diphenylpent-1-yn-3-ol is CC(F)C(O)(C#Cc1ccccc1)c1ccccc1.
What is the InChIKey of 4-fluoro-1,3-diphenylpent-1-yn-3-ol?
The InChIKey is XGDYUEXLCOMXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO/c1-14(18)17(19,16-10-6-3-7-11-16)13-12-15-8-4-2-5-9-15/h2-11,14,19H,1H3.
What are the key properties of 4-fluoro-1,3-diphenylpent-1-yn-3-ol?
4-fluoro-1,3-diphenylpent-1-yn-3-ol has a molecular weight of 254.30 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1,3-diphenylpent-1-yn-3-ol is sourced from PubChem (CID 132850440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).