1-(5-fluoro-2-methylphenyl)-4-methylpent-1-yn-3-ol

C13H15FO — CID 130055794

IUPAC1-(5-fluoro-2-methylphenyl)-4-methylpent-1-yn-3-ol
SMILESCc1ccc(F)cc1C#CC(O)C(C)C
InChIInChI=1S/C13H15FO/c1-9(2)13(15)7-5-11-8-12(14)6-4-10(11)3/h4,6,8-9,13,15H,1-3H3
InChIKeyILWSLLSEIZEKQT-UHFFFAOYSA-N
MW206.26 g/mol
LogP2.50
Rot. Bonds1

About 1-(5-fluoro-2-methylphenyl)-4-methylpent-1-yn-3-ol

1-(5-fluoro-2-methylphenyl)-4-methylpent-1-yn-3-ol (PubChem CID 130055794) has the molecular formula C13H15FO and a molecular weight of 206.26 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-4-methylpent-1-yn-3-ol.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-4-methylpent-1-yn-3-ol
PubChem CID130055794
Molecular FormulaC13H15FO
Molecular Weight206.26 g/mol
Exact Mass206.11
IUPAC Name1-(5-fluoro-2-methylphenyl)-4-methylpent-1-yn-3-ol
SMILESCc1ccc(F)cc1C#CC(O)C(C)C
InChIInChI=1S/C13H15FO/c1-9(2)13(15)7-5-11-8-12(14)6-4-10(11)3/h4,6,8-9,13,15H,1-3H3
InChIKeyILWSLLSEIZEKQT-UHFFFAOYSA-N
XLogP2.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 52.50
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-(5-chloro-2-methylphenyl)but-3-yn-2-ol
CID 130055698
1-(3,5-dimethylphenyl)-4-methylpent-1-yn-3-ol
CID 146003314
1-(3-chloro-5-fluorophenyl)-4-methylpent-1-yn-3-ol
CID 130055905
3-(5-fluoro-2-methylphenyl)-2,3-dihydroxypropanenitrile
CID 171869759
(1S,2R)-1-amino-1-(5-fluoro-2-methylphenyl)-3-methylbutan-2-ol
CID 171267952
3-(5-fluoro-2-methylphenyl)prop-2-ynyl propanoate
CID 146003517
(1R,2S)-2-amino-1-(5-fluoro-2-methylphenyl)propan-1-ol
CID 130864158
2-amino-1-(5-fluoro-2-methylphenyl)propan-1-ol
CID 84659101
5-fluoro-2-methylphenol
CID 2774616
1-(4-fluoro-2-methylphenyl)propan-2-ol
CID 91636360
CID 170791965
CID 170791965
1-(5-fluoro-2-methylphenyl)-2-methylpropan-1-amine
CID 60730207

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-4-methylpent-1-yn-3-ol?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-4-methylpent-1-yn-3-ol (CID 130055794) is 1-(5-fluoro-2-methylphenyl)-4-methylpent-1-yn-3-ol.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-4-methylpent-1-yn-3-ol?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-4-methylpent-1-yn-3-ol is Cc1ccc(F)cc1C#CC(O)C(C)C.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-4-methylpent-1-yn-3-ol?
The InChIKey is ILWSLLSEIZEKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO/c1-9(2)13(15)7-5-11-8-12(14)6-4-10(11)3/h4,6,8-9,13,15H,1-3H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-4-methylpent-1-yn-3-ol?
1-(5-fluoro-2-methylphenyl)-4-methylpent-1-yn-3-ol has a molecular weight of 206.26 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-4-methylpent-1-yn-3-ol is sourced from PubChem (CID 130055794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).