4-(4-fluoro-2-methylphenyl)-2-phenylbut-3-yn-2-ol

C17H15FO — CID 146003482

IUPAC4-(4-fluoro-2-methylphenyl)-2-phenylbut-3-yn-2-ol
SMILESCc1cc(F)ccc1C#CC(C)(O)c1ccccc1
InChIInChI=1S/C17H15FO/c1-13-12-16(18)9-8-14(13)10-11-17(2,19)15-6-4-3-5-7-15/h3-9,12,19H,1-2H3
InChIKeyFPYHBZUSHAYZFP-UHFFFAOYSA-N
MW254.30 g/mol
LogP3.39
Rot. Bonds1

About 4-(4-fluoro-2-methylphenyl)-2-phenylbut-3-yn-2-ol

4-(4-fluoro-2-methylphenyl)-2-phenylbut-3-yn-2-ol (PubChem CID 146003482) has the molecular formula C17H15FO and a molecular weight of 254.30 g/mol. Its IUPAC name is 4-(4-fluoro-2-methylphenyl)-2-phenylbut-3-yn-2-ol.

Molecular Properties

Compound Name4-(4-fluoro-2-methylphenyl)-2-phenylbut-3-yn-2-ol
PubChem CID146003482
Molecular FormulaC17H15FO
Molecular Weight254.30 g/mol
Exact Mass254.11
IUPAC Name4-(4-fluoro-2-methylphenyl)-2-phenylbut-3-yn-2-ol
SMILESCc1cc(F)ccc1C#CC(C)(O)c1ccccc1
InChIInChI=1S/C17H15FO/c1-13-12-16(18)9-8-14(13)10-11-17(2,19)15-6-4-3-5-7-15/h3-9,12,19H,1-2H3
InChIKeyFPYHBZUSHAYZFP-UHFFFAOYSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 53.39
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

4-(4-fluoro-2-methylphenyl)-2-methylbut-3-yn-2-amine
CID 63997278
2-phenyl-4-(3,4,5-trifluorophenyl)but-3-yn-2-ol
CID 146003785
5,5,5-trifluoro-2-phenylpent-3-yn-2-ol
CID 4084211
bis(2,4-diphenylbut-3-yn-2-ol);platinum
CID 11061246
3-(4-fluoro-2-methylphenyl)prop-2-ynoic acid
CID 63640259
1-(4-fluoro-2-methylphenyl)-3-methylnon-1-yn-3-ol
CID 146003484
4-(3-chloro-4-fluorophenyl)-2-phenylbut-3-yn-2-ol
CID 146002834
4-(4-methylsulfanylphenyl)-2-phenylbut-3-yn-2-ol
CID 146003701
4-(2-nitrophenyl)-2-phenylbut-3-yn-2-ol
CID 23345644
4-(2,5-difluorophenyl)-2-methylbut-3-yn-2-ol
CID 23006406
(2S)-2-(3-fluorophenyl)-2-hydroxypropanenitrile
CID 98747909
4-(3,4-dimethoxyphenyl)-2-phenylbut-3-yn-2-ol
CID 146003165

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-methylphenyl)-2-phenylbut-3-yn-2-ol?
The IUPAC name of 4-(4-fluoro-2-methylphenyl)-2-phenylbut-3-yn-2-ol (CID 146003482) is 4-(4-fluoro-2-methylphenyl)-2-phenylbut-3-yn-2-ol.
What is the SMILES notation for 4-(4-fluoro-2-methylphenyl)-2-phenylbut-3-yn-2-ol?
The canonical SMILES for 4-(4-fluoro-2-methylphenyl)-2-phenylbut-3-yn-2-ol is Cc1cc(F)ccc1C#CC(C)(O)c1ccccc1.
What is the InChIKey of 4-(4-fluoro-2-methylphenyl)-2-phenylbut-3-yn-2-ol?
The InChIKey is FPYHBZUSHAYZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO/c1-13-12-16(18)9-8-14(13)10-11-17(2,19)15-6-4-3-5-7-15/h3-9,12,19H,1-2H3.
What are the key properties of 4-(4-fluoro-2-methylphenyl)-2-phenylbut-3-yn-2-ol?
4-(4-fluoro-2-methylphenyl)-2-phenylbut-3-yn-2-ol has a molecular weight of 254.30 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-methylphenyl)-2-phenylbut-3-yn-2-ol is sourced from PubChem (CID 146003482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).