4-[4-(4-fluorophenoxy)phenyl]-2-methylbut-3-yn-2-ol

C17H15FO2 — CID 21322350

IUPAC4-[4-(4-fluorophenoxy)phenyl]-2-methylbut-3-yn-2-ol
SMILESCC(C)(O)C#Cc1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C17H15FO2/c1-17(2,19)12-11-13-3-7-15(8-4-13)20-16-9-5-14(18)6-10-16/h3-10,19H,1-2H3
InChIKeyRWRIJIRLOFKHJL-UHFFFAOYSA-N
MW270.30 g/mol
LogP3.74
Rot. Bonds2

About 4-[4-(4-fluorophenoxy)phenyl]-2-methylbut-3-yn-2-ol

4-[4-(4-fluorophenoxy)phenyl]-2-methylbut-3-yn-2-ol (PubChem CID 21322350) has the molecular formula C17H15FO2 and a molecular weight of 270.30 g/mol. Its IUPAC name is 4-[4-(4-fluorophenoxy)phenyl]-2-methylbut-3-yn-2-ol.

Molecular Properties

Compound Name4-[4-(4-fluorophenoxy)phenyl]-2-methylbut-3-yn-2-ol
PubChem CID21322350
Molecular FormulaC17H15FO2
Molecular Weight270.30 g/mol
Exact Mass270.11
IUPAC Name4-[4-(4-fluorophenoxy)phenyl]-2-methylbut-3-yn-2-ol
SMILESCC(C)(O)C#Cc1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C17H15FO2/c1-17(2,19)12-11-13-3-7-15(8-4-13)20-16-9-5-14(18)6-10-16/h3-10,19H,1-2H3
InChIKeyRWRIJIRLOFKHJL-UHFFFAOYSA-N
XLogP3.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-(4-tert-butylphenyl)-2-methylbut-3-yn-2-ol
CID 112554226
4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylbut-3-yn-2-ol
CID 139670556
1-(3-chloro-3-methylbut-1-ynyl)-4-fluorobenzene
CID 130055801
4-(4-chlorophenyl)-2-methylbut-3-yn-2-ol
CID 11735713
4-[4-(5-hydroxypentoxy)phenyl]-2-methylbut-3-yn-2-ol
CID 18751426
1-[4-(4-fluorophenoxy)phenyl]pent-1-yn-3-ol
CID 21322355
4-[4-[2-(4-dodecoxyphenyl)ethynyl]phenyl]-2-methylbut-3-yn-2-ol
CID 3989767
1,5-bis(4-methoxyphenyl)-3-methylpenta-1,4-diyn-3-ol
CID 139242349
1-(4-fluorophenyl)-3,5-dimethylhept-1-yn-3-ol
CID 146003542
5-[3-(4-fluorophenoxy)phenyl]-2,3-dimethylpent-4-yn-2-ol
CID 21322207
4-[4-[4-[4-[4-(3-hydroxy-3-methylbut-1-ynyl)-2-methylphenoxy]phenyl]sulfonylphenoxy]-3-methylphenyl]-2-methylbut-3-yn-2-ol
CID 20521201
1,4-bis[2-(4-fluorophenyl)ethynyl]benzene
CID 4677208

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenoxy)phenyl]-2-methylbut-3-yn-2-ol?
The IUPAC name of 4-[4-(4-fluorophenoxy)phenyl]-2-methylbut-3-yn-2-ol (CID 21322350) is 4-[4-(4-fluorophenoxy)phenyl]-2-methylbut-3-yn-2-ol.
What is the SMILES notation for 4-[4-(4-fluorophenoxy)phenyl]-2-methylbut-3-yn-2-ol?
The canonical SMILES for 4-[4-(4-fluorophenoxy)phenyl]-2-methylbut-3-yn-2-ol is CC(C)(O)C#Cc1ccc(Oc2ccc(F)cc2)cc1.
What is the InChIKey of 4-[4-(4-fluorophenoxy)phenyl]-2-methylbut-3-yn-2-ol?
The InChIKey is RWRIJIRLOFKHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO2/c1-17(2,19)12-11-13-3-7-15(8-4-13)20-16-9-5-14(18)6-10-16/h3-10,19H,1-2H3.
What are the key properties of 4-[4-(4-fluorophenoxy)phenyl]-2-methylbut-3-yn-2-ol?
4-[4-(4-fluorophenoxy)phenyl]-2-methylbut-3-yn-2-ol has a molecular weight of 270.30 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenoxy)phenyl]-2-methylbut-3-yn-2-ol is sourced from PubChem (CID 21322350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).