3-[2-fluoro-4-(oxolan-2-ylmethoxy)phenyl]prop-2-yn-1-ol

C14H15FO3 — CID 65202481

IUPAC3-[2-fluoro-4-(oxolan-2-ylmethoxy)phenyl]prop-2-yn-1-ol
SMILESOCC#Cc1ccc(OCC2CCCO2)cc1F
InChIInChI=1S/C14H15FO3/c15-14-9-12(6-5-11(14)3-1-7-16)18-10-13-4-2-8-17-13/h5-6,9,13,16H,2,4,7-8,10H2
InChIKeyIBDLYGLSXWVRMF-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.73
Rot. Bonds3

About 3-[2-fluoro-4-(oxolan-2-ylmethoxy)phenyl]prop-2-yn-1-ol

3-[2-fluoro-4-(oxolan-2-ylmethoxy)phenyl]prop-2-yn-1-ol (PubChem CID 65202481) has the molecular formula C14H15FO3 and a molecular weight of 250.27 g/mol. Its IUPAC name is 3-[2-fluoro-4-(oxolan-2-ylmethoxy)phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[2-fluoro-4-(oxolan-2-ylmethoxy)phenyl]prop-2-yn-1-ol
PubChem CID65202481
Molecular FormulaC14H15FO3
Molecular Weight250.27 g/mol
Exact Mass250.10
IUPAC Name3-[2-fluoro-4-(oxolan-2-ylmethoxy)phenyl]prop-2-yn-1-ol
SMILESOCC#Cc1ccc(OCC2CCCO2)cc1F
InChIInChI=1S/C14H15FO3/c15-14-9-12(6-5-11(14)3-1-7-16)18-10-13-4-2-8-17-13/h5-6,9,13,16H,2,4,7-8,10H2
InChIKeyIBDLYGLSXWVRMF-UHFFFAOYSA-N
XLogP1.73
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-methyl-4-(oxan-2-ylmethoxy)phenyl]prop-2-yn-1-ol
CID 83134156
3-[5-methoxy-2-(oxolan-2-ylmethoxy)phenyl]prop-2-yn-1-ol
CID 104706417
3-[2-fluoro-4-(oxan-4-yloxy)phenyl]prop-2-yn-1-ol
CID 65203029
(1R)-1-[2-fluoro-4-(oxan-2-ylmethoxy)phenyl]ethanol
CID 107719943
2-[(4-chloro-3-fluorophenoxy)methyl]oxane
CID 82705903
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 107650554
3-[2-fluoro-4-(2-fluoroethoxy)phenyl]prop-2-yn-1-ol
CID 80695113
3-[2-fluoro-4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]prop-2-yn-1-ol
CID 114348433
[3-(oxolan-2-ylmethoxy)phenyl]methanol
CID 43199011
3-[4-(ethoxymethoxy)-2-fluorophenyl]prop-2-yn-1-ol
CID 65369091
3-[4-fluoro-3-[2-(oxolan-2-yl)ethoxy]phenyl]prop-2-yn-1-ol
CID 114675226
4-(oxolan-2-ylmethoxy)pyridine-2-carbonitrile
CID 62936750

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-4-(oxolan-2-ylmethoxy)phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[2-fluoro-4-(oxolan-2-ylmethoxy)phenyl]prop-2-yn-1-ol (CID 65202481) is 3-[2-fluoro-4-(oxolan-2-ylmethoxy)phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[2-fluoro-4-(oxolan-2-ylmethoxy)phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[2-fluoro-4-(oxolan-2-ylmethoxy)phenyl]prop-2-yn-1-ol is OCC#Cc1ccc(OCC2CCCO2)cc1F.
What is the InChIKey of 3-[2-fluoro-4-(oxolan-2-ylmethoxy)phenyl]prop-2-yn-1-ol?
The InChIKey is IBDLYGLSXWVRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FO3/c15-14-9-12(6-5-11(14)3-1-7-16)18-10-13-4-2-8-17-13/h5-6,9,13,16H,2,4,7-8,10H2.
What are the key properties of 3-[2-fluoro-4-(oxolan-2-ylmethoxy)phenyl]prop-2-yn-1-ol?
3-[2-fluoro-4-(oxolan-2-ylmethoxy)phenyl]prop-2-yn-1-ol has a molecular weight of 250.27 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-4-(oxolan-2-ylmethoxy)phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 65202481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).