1-[3-(3-fluorophenoxy)phenyl]prop-2-yn-1-ol

C15H11FO2 — CID 54301986

IUPAC1-[3-(3-fluorophenoxy)phenyl]prop-2-yn-1-ol
SMILESC#CC(O)c1cccc(Oc2cccc(F)c2)c1
InChIInChI=1S/C15H11FO2/c1-2-15(17)11-5-3-7-13(9-11)18-14-8-4-6-12(16)10-14/h1,3-10,15,17H
InChIKeySEWIWHWDHFTNIC-UHFFFAOYSA-N
MW242.25 g/mol
LogP3.28
Rot. Bonds3

About 1-[3-(3-fluorophenoxy)phenyl]prop-2-yn-1-ol

1-[3-(3-fluorophenoxy)phenyl]prop-2-yn-1-ol (PubChem CID 54301986) has the molecular formula C15H11FO2 and a molecular weight of 242.25 g/mol. Its IUPAC name is 1-[3-(3-fluorophenoxy)phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name1-[3-(3-fluorophenoxy)phenyl]prop-2-yn-1-ol
PubChem CID54301986
Molecular FormulaC15H11FO2
Molecular Weight242.25 g/mol
Exact Mass242.07
IUPAC Name1-[3-(3-fluorophenoxy)phenyl]prop-2-yn-1-ol
SMILESC#CC(O)c1cccc(Oc2cccc(F)c2)c1
InChIInChI=1S/C15H11FO2/c1-2-15(17)11-5-3-7-13(9-11)18-14-8-4-6-12(16)10-14/h1,3-10,15,17H
InChIKeySEWIWHWDHFTNIC-UHFFFAOYSA-N
XLogP3.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 53.28
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

1-[3-(3-bromophenoxy)phenyl]prop-2-yn-1-ol
CID 54000800
1,4-bis[3-(3-fluorophenoxy)phenoxy]benzene
CID 22338391
2-(3-fluorophenyl)-2-hydroxyacetonitrile
CID 18364031
2-hydroxy-2-[3-(3-methoxyphenoxy)phenyl]acetonitrile
CID 54380272
1-fluoro-3-(3-iodophenoxy)benzene
CID 118960389
[3-(3-fluorophenoxy)phenyl]methanol
CID 13255235
1-fluoro-3-(3-fluorophenoxy)-5-methylbenzene
CID 54548242
1-(3-phenoxyphenyl)ethanol
CID 12882419
(1R)-3-(3-fluorophenoxy)-1-phenylpropan-1-ol
CID 112742208
CID 70640647
CID 70640647
2-(3-fluorophenoxy)-3-methylaniline
CID 115550847
2-fluoro-5-(3-fluorophenoxy)benzoic acid
CID 170721916

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-fluorophenoxy)phenyl]prop-2-yn-1-ol?
The IUPAC name of 1-[3-(3-fluorophenoxy)phenyl]prop-2-yn-1-ol (CID 54301986) is 1-[3-(3-fluorophenoxy)phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 1-[3-(3-fluorophenoxy)phenyl]prop-2-yn-1-ol?
The canonical SMILES for 1-[3-(3-fluorophenoxy)phenyl]prop-2-yn-1-ol is C#CC(O)c1cccc(Oc2cccc(F)c2)c1.
What is the InChIKey of 1-[3-(3-fluorophenoxy)phenyl]prop-2-yn-1-ol?
The InChIKey is SEWIWHWDHFTNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FO2/c1-2-15(17)11-5-3-7-13(9-11)18-14-8-4-6-12(16)10-14/h1,3-10,15,17H.
What are the key properties of 1-[3-(3-fluorophenoxy)phenyl]prop-2-yn-1-ol?
1-[3-(3-fluorophenoxy)phenyl]prop-2-yn-1-ol has a molecular weight of 242.25 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-fluorophenoxy)phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 54301986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).