3-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]prop-2-yn-1-ol

C15H17FO3 — CID 103136462

IUPAC3-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]prop-2-yn-1-ol
SMILESCC1CCC(COc2cc(F)ccc2C#CCO)O1
InChIInChI=1S/C15H17FO3/c1-11-4-7-14(19-11)10-18-15-9-13(16)6-5-12(15)3-2-8-17/h5-6,9,11,14,17H,4,7-8,10H2,1H3
InChIKeyISJOJKWBTNWCBJ-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.12
Rot. Bonds3

About 3-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]prop-2-yn-1-ol

3-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]prop-2-yn-1-ol (PubChem CID 103136462) has the molecular formula C15H17FO3 and a molecular weight of 264.30 g/mol. Its IUPAC name is 3-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]prop-2-yn-1-ol
PubChem CID103136462
Molecular FormulaC15H17FO3
Molecular Weight264.30 g/mol
Exact Mass264.12
IUPAC Name3-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]prop-2-yn-1-ol
SMILESCC1CCC(COc2cc(F)ccc2C#CCO)O1
InChIInChI=1S/C15H17FO3/c1-11-4-7-14(19-11)10-18-15-9-13(16)6-5-12(15)3-2-8-17/h5-6,9,11,14,17H,4,7-8,10H2,1H3
InChIKeyISJOJKWBTNWCBJ-UHFFFAOYSA-N
XLogP2.12
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.12
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

4-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]but-3-yn-1-ol
CID 103136463
2-[(5-fluoro-2-methylphenoxy)methyl]-5-methyloxolane
CID 103141088
2-[(2-bromo-5-fluorophenoxy)methyl]-5-methyloxolane
CID 103134451
potassium trifluoro-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide
CID 103135595
trifluoro-[5-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide
CID 103135573
(1S)-1-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 103133258
[3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanol
CID 107690882
3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]aniline
CID 103132575
2-[(5-methyloxolan-2-yl)methoxy]benzonitrile
CID 103134244
2-methyl-5-[(2-methylphenoxy)methyl]oxolane
CID 103141002
[2-chloro-6-[(5-methyloxolan-2-yl)methoxy]phenyl]methanol
CID 103135193
2-fluoro-4-[(5-methyloxolan-2-yl)methoxy]benzonitrile
CID 103143092

Frequently Asked Questions

What is the IUPAC name of 3-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]prop-2-yn-1-ol (CID 103136462) is 3-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]prop-2-yn-1-ol is CC1CCC(COc2cc(F)ccc2C#CCO)O1.
What is the InChIKey of 3-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]prop-2-yn-1-ol?
The InChIKey is ISJOJKWBTNWCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FO3/c1-11-4-7-14(19-11)10-18-15-9-13(16)6-5-12(15)3-2-8-17/h5-6,9,11,14,17H,4,7-8,10H2,1H3.
What are the key properties of 3-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]prop-2-yn-1-ol?
3-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]prop-2-yn-1-ol has a molecular weight of 264.30 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 103136462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).