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

C15H11FO2 — CID 21322376

IUPAC3-[2-(4-fluorophenoxy)phenyl]prop-2-yn-1-ol
SMILESOCC#Cc1ccccc1Oc1ccc(F)cc1
InChIInChI=1S/C15H11FO2/c16-13-7-9-14(10-8-13)18-15-6-2-1-4-12(15)5-3-11-17/h1-2,4,6-10,17H,11H2
InChIKeyLXIXPOABVYJOHE-UHFFFAOYSA-N
MW242.25 g/mol
LogP2.96
Rot. Bonds2

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

3-[2-(4-fluorophenoxy)phenyl]prop-2-yn-1-ol (PubChem CID 21322376) has the molecular formula C15H11FO2 and a molecular weight of 242.25 g/mol. Its IUPAC name is 3-[2-(4-fluorophenoxy)phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[2-(4-fluorophenoxy)phenyl]prop-2-yn-1-ol
PubChem CID21322376
Molecular FormulaC15H11FO2
Molecular Weight242.25 g/mol
Exact Mass242.07
IUPAC Name3-[2-(4-fluorophenoxy)phenyl]prop-2-yn-1-ol
SMILESOCC#Cc1ccccc1Oc1ccc(F)cc1
InChIInChI=1S/C15H11FO2/c16-13-7-9-14(10-8-13)18-15-6-2-1-4-12(15)5-3-11-17/h1-2,4,6-10,17H,11H2
InChIKeyLXIXPOABVYJOHE-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'}

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Related Compounds

3-[4-(2-fluorophenoxy)phenyl]prop-2-yn-1-ol
CID 54137190
1-[2-(4-fluorophenoxy)phenyl]hex-1-yn-3-ol
CID 21322388
3-[2-(3-phenoxypropoxy)phenyl]prop-2-yn-1-ol
CID 62936966
ethane;3-[2-(3-hydroxyprop-1-ynyl)phenyl]prop-2-yn-1-ol
CID 142610234
3-[2-[(2,5-difluorophenoxy)methyl]phenyl]prop-2-yn-1-ol
CID 63269923
3-[2-(3-methoxypropoxy)phenyl]prop-2-yn-1-ol
CID 60925452
3-(4-fluorophenyl)prop-2-yn-1-ol
CID 2782698
3-[2-(2-pyridin-4-ylethoxy)phenyl]prop-2-yn-1-ol
CID 60890550
N-(4-fluorophenyl)-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 60823376
ethane;3-(4-fluorophenyl)prop-2-yn-1-ol
CID 163382607
1-bromo-2-(4-fluorophenoxy)benzene
CID 18423530
3-(2-methylphenyl)prop-2-yn-1-ol
CID 45156701

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenoxy)phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[2-(4-fluorophenoxy)phenyl]prop-2-yn-1-ol (CID 21322376) is 3-[2-(4-fluorophenoxy)phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[2-(4-fluorophenoxy)phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[2-(4-fluorophenoxy)phenyl]prop-2-yn-1-ol is OCC#Cc1ccccc1Oc1ccc(F)cc1.
What is the InChIKey of 3-[2-(4-fluorophenoxy)phenyl]prop-2-yn-1-ol?
The InChIKey is LXIXPOABVYJOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FO2/c16-13-7-9-14(10-8-13)18-15-6-2-1-4-12(15)5-3-11-17/h1-2,4,6-10,17H,11H2.
What are the key properties of 3-[2-(4-fluorophenoxy)phenyl]prop-2-yn-1-ol?
3-[2-(4-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-[2-(4-fluorophenoxy)phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 21322376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).