3-[4-(2-fluorophenoxy)phenyl]prop-2-yn-1-ol

C15H11FO2 — CID 54137190

IUPAC3-[4-(2-fluorophenoxy)phenyl]prop-2-yn-1-ol
SMILESOCC#Cc1ccc(Oc2ccccc2F)cc1
InChIInChI=1S/C15H11FO2/c16-14-5-1-2-6-15(14)18-13-9-7-12(8-10-13)4-3-11-17/h1-2,5-10,17H,11H2
InChIKeyNYODYFRKDSRSLQ-UHFFFAOYSA-N
MW242.25 g/mol
LogP2.96
Rot. Bonds2

About 3-[4-(2-fluorophenoxy)phenyl]prop-2-yn-1-ol

3-[4-(2-fluorophenoxy)phenyl]prop-2-yn-1-ol (PubChem CID 54137190) has the molecular formula C15H11FO2 and a molecular weight of 242.25 g/mol. Its IUPAC name is 3-[4-(2-fluorophenoxy)phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[4-(2-fluorophenoxy)phenyl]prop-2-yn-1-ol
PubChem CID54137190
Molecular FormulaC15H11FO2
Molecular Weight242.25 g/mol
Exact Mass242.07
IUPAC Name3-[4-(2-fluorophenoxy)phenyl]prop-2-yn-1-ol
SMILESOCC#Cc1ccc(Oc2ccccc2F)cc1
InChIInChI=1S/C15H11FO2/c16-14-5-1-2-6-15(14)18-13-9-7-12(8-10-13)4-3-11-17/h1-2,5-10,17H,11H2
InChIKeyNYODYFRKDSRSLQ-UHFFFAOYSA-N
XLogP2.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[4-(2-fluorophenoxy)phenyl]prop-2-yn-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(4-fluorophenoxy)phenyl]prop-2-yn-1-ol
CID 21322376
1-[4-(2-fluorophenoxy)phenyl]-4-methylpent-1-yn-3-ol
CID 54193003
3-(4-fluorophenyl)prop-2-yn-1-ol
CID 2782698
3-[4-(4-bromophenoxy)phenyl]prop-2-yn-1-ol
CID 21322306
ethane;3-(4-fluorophenyl)prop-2-yn-1-ol
CID 163382607
1-(chloromethyl)-4-(2-fluorophenoxy)benzene
CID 22293096
3-[4-(3-hydroxyprop-1-ynyl)phenoxy]-4-methoxybenzaldehyde
CID 10731583
ethane;1-fluoro-2-phenoxybenzene
CID 170962676
1-fluoro-2-[3-[4-[4-[3-(2-fluorophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]benzene
CID 22338576
1-fluoro-4-[3-(4-phenoxyphenoxy)prop-1-ynyl]benzene
CID 13313471
3-[4-(phenoxymethyl)phenyl]prop-2-yn-1-ol
CID 54970199
3-[4-(4-nitrophenoxy)phenyl]prop-2-yn-1-ol
CID 23345648

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluorophenoxy)phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[4-(2-fluorophenoxy)phenyl]prop-2-yn-1-ol (CID 54137190) is 3-[4-(2-fluorophenoxy)phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[4-(2-fluorophenoxy)phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[4-(2-fluorophenoxy)phenyl]prop-2-yn-1-ol is OCC#Cc1ccc(Oc2ccccc2F)cc1.
What is the InChIKey of 3-[4-(2-fluorophenoxy)phenyl]prop-2-yn-1-ol?
The InChIKey is NYODYFRKDSRSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FO2/c16-14-5-1-2-6-15(14)18-13-9-7-12(8-10-13)4-3-11-17/h1-2,5-10,17H,11H2.
What are the key properties of 3-[4-(2-fluorophenoxy)phenyl]prop-2-yn-1-ol?
3-[4-(2-fluorophenoxy)phenyl]prop-2-yn-1-ol has a molecular weight of 242.25 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluorophenoxy)phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 54137190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).