1-[4-(4-fluorophenoxy)phenyl]pent-1-yn-3-ol

C17H15FO2 — CID 21322355

IUPAC1-[4-(4-fluorophenoxy)phenyl]pent-1-yn-3-ol
SMILESCCC(O)C#Cc1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C17H15FO2/c1-2-15(19)8-3-13-4-9-16(10-5-13)20-17-11-6-14(18)7-12-17/h4-7,9-12,15,19H,2H2,1H3
InChIKeyZOJMCBAYKPRCMZ-UHFFFAOYSA-N
MW270.30 g/mol
LogP3.74
Rot. Bonds3

About 1-[4-(4-fluorophenoxy)phenyl]pent-1-yn-3-ol

1-[4-(4-fluorophenoxy)phenyl]pent-1-yn-3-ol (PubChem CID 21322355) has the molecular formula C17H15FO2 and a molecular weight of 270.30 g/mol. Its IUPAC name is 1-[4-(4-fluorophenoxy)phenyl]pent-1-yn-3-ol.

Molecular Properties

Compound Name1-[4-(4-fluorophenoxy)phenyl]pent-1-yn-3-ol
PubChem CID21322355
Molecular FormulaC17H15FO2
Molecular Weight270.30 g/mol
Exact Mass270.11
IUPAC Name1-[4-(4-fluorophenoxy)phenyl]pent-1-yn-3-ol
SMILESCCC(O)C#Cc1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C17H15FO2/c1-2-15(19)8-3-13-4-9-16(10-5-13)20-17-11-6-14(18)7-12-17/h4-7,9-12,15,19H,2H2,1H3
InChIKeyZOJMCBAYKPRCMZ-UHFFFAOYSA-N
XLogP3.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

(2R)-4-(4-fluorophenyl)but-3-yn-2-ol
CID 45090838
4-[4-(4-fluorophenoxy)phenyl]-2-methylbut-3-yn-2-ol
CID 21322350
1-[2-(4-fluorophenoxy)phenyl]hex-1-yn-3-ol
CID 21322388
1-ethoxy-4-[2-(4-fluorophenyl)ethynyl]benzene
CID 14744785
1-(3,3-diethoxyprop-1-ynyl)-4-fluorobenzene
CID 23464829
[4-[2-(4-fluorophenyl)ethynyl]phenyl] 2-methylbutanoate
CID 22976491
1-[4-(2-fluorophenoxy)phenyl]-4-methylpent-1-yn-3-ol
CID 54193003
1-[4-[(2-methylpropan-2-yl)oxy]phenyl]oct-1-yn-3-ol
CID 146002747
1-fluoro-4-[3-(4-phenoxyphenoxy)prop-1-ynyl]benzene
CID 13313471
1-fluoro-4-[2-[4-(4-propoxyphenyl)phenyl]ethynyl]benzene
CID 67865457
5-[3-(4-fluorophenoxy)phenyl]-2,3-dimethylpent-4-yn-2-ol
CID 21322207
1-(4-ethoxyphenyl)-3-(4-fluorophenyl)prop-2-yn-1-one
CID 11380154

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenoxy)phenyl]pent-1-yn-3-ol?
The IUPAC name of 1-[4-(4-fluorophenoxy)phenyl]pent-1-yn-3-ol (CID 21322355) is 1-[4-(4-fluorophenoxy)phenyl]pent-1-yn-3-ol.
What is the SMILES notation for 1-[4-(4-fluorophenoxy)phenyl]pent-1-yn-3-ol?
The canonical SMILES for 1-[4-(4-fluorophenoxy)phenyl]pent-1-yn-3-ol is CCC(O)C#Cc1ccc(Oc2ccc(F)cc2)cc1.
What is the InChIKey of 1-[4-(4-fluorophenoxy)phenyl]pent-1-yn-3-ol?
The InChIKey is ZOJMCBAYKPRCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO2/c1-2-15(19)8-3-13-4-9-16(10-5-13)20-17-11-6-14(18)7-12-17/h4-7,9-12,15,19H,2H2,1H3.
What are the key properties of 1-[4-(4-fluorophenoxy)phenyl]pent-1-yn-3-ol?
1-[4-(4-fluorophenoxy)phenyl]pent-1-yn-3-ol has a molecular weight of 270.30 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenoxy)phenyl]pent-1-yn-3-ol is sourced from PubChem (CID 21322355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).