1-(5-fluoro-2-methylphenyl)pent-4-yn-1-ol

C12H13FO — CID 63657486

IUPAC1-(5-fluoro-2-methylphenyl)pent-4-yn-1-ol
SMILESC#CCCC(O)c1cc(F)ccc1C
InChIInChI=1S/C12H13FO/c1-3-4-5-12(14)11-8-10(13)7-6-9(11)2/h1,6-8,12,14H,4-5H2,2H3
InChIKeyQEQIJYRVCADVFO-UHFFFAOYSA-N
MW192.23 g/mol
LogP2.58
Rot. Bonds3

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

1-(5-fluoro-2-methylphenyl)pent-4-yn-1-ol (PubChem CID 63657486) has the molecular formula C12H13FO and a molecular weight of 192.23 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)pent-4-yn-1-ol.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)pent-4-yn-1-ol
PubChem CID63657486
Molecular FormulaC12H13FO
Molecular Weight192.23 g/mol
Exact Mass192.10
IUPAC Name1-(5-fluoro-2-methylphenyl)pent-4-yn-1-ol
SMILESC#CCCC(O)c1cc(F)ccc1C
InChIInChI=1S/C12H13FO/c1-3-4-5-12(14)11-8-10(13)7-6-9(11)2/h1,6-8,12,14H,4-5H2,2H3
InChIKeyQEQIJYRVCADVFO-UHFFFAOYSA-N
XLogP2.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 52.58
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

1-(5-fluoro-2-methylphenyl)-4-methylpentan-1-ol
CID 62606774
1-(5-fluoro-2-methylphenyl)-4-methylsulfanylbutan-1-ol
CID 103090072
1-(5-fluoro-2-methylphenyl)-4-methoxybutan-1-ol
CID 62606584
1-(2-bromo-5-fluorophenyl)hex-5-yn-1-ol
CID 115831811
1-(5-fluoro-2-methylphenyl)-2-methylsulfanylethanol
CID 62791337
3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-ol
CID 62791994
(1R)-1-(5-fluoro-2-methylphenyl)but-3-en-1-ol
CID 94420605
1-(2,5-difluorophenyl)pent-4-yn-1-amine
CID 63672748
1-(5-fluoro-2-methylphenyl)butane-1,2,4-triol
CID 171871828
2-(2-chloro-4-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 62607143
2-cyclopentyl-1-(5-fluoro-2-methylphenyl)ethanol
CID 62608273
CID 170791965
CID 170791965

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)pent-4-yn-1-ol?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)pent-4-yn-1-ol (CID 63657486) is 1-(5-fluoro-2-methylphenyl)pent-4-yn-1-ol.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)pent-4-yn-1-ol?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)pent-4-yn-1-ol is C#CCCC(O)c1cc(F)ccc1C.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)pent-4-yn-1-ol?
The InChIKey is QEQIJYRVCADVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO/c1-3-4-5-12(14)11-8-10(13)7-6-9(11)2/h1,6-8,12,14H,4-5H2,2H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)pent-4-yn-1-ol?
1-(5-fluoro-2-methylphenyl)pent-4-yn-1-ol has a molecular weight of 192.23 g/mol, XLogP of 2.58, 3 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)pent-4-yn-1-ol is sourced from PubChem (CID 63657486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).