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

C16H19FO3 — CID 103136463

IUPAC4-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]but-3-yn-1-ol
SMILESCC1CCC(COc2cc(F)ccc2C#CCCO)O1
InChIInChI=1S/C16H19FO3/c1-12-5-8-15(20-12)11-19-16-10-14(17)7-6-13(16)4-2-3-9-18/h6-7,10,12,15,18H,3,5,8-9,11H2,1H3
InChIKeyPCUOAMFKPBCPLD-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.51
Rot. Bonds4

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

4-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]but-3-yn-1-ol (PubChem CID 103136463) has the molecular formula C16H19FO3 and a molecular weight of 278.32 g/mol. Its IUPAC name is 4-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]but-3-yn-1-ol
PubChem CID103136463
Molecular FormulaC16H19FO3
Molecular Weight278.32 g/mol
Exact Mass278.13
IUPAC Name4-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]but-3-yn-1-ol
SMILESCC1CCC(COc2cc(F)ccc2C#CCCO)O1
InChIInChI=1S/C16H19FO3/c1-12-5-8-15(20-12)11-19-16-10-14(17)7-6-13(16)4-2-3-9-18/h6-7,10,12,15,18H,3,5,8-9,11H2,1H3
InChIKeyPCUOAMFKPBCPLD-UHFFFAOYSA-N
XLogP2.51
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.51
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-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]prop-2-yn-1-ol
CID 103136462
2-[(5-fluoro-2-methylphenoxy)methyl]-5-methyloxolane
CID 103141088
2-[(2-bromo-5-fluorophenoxy)methyl]-5-methyloxolane
CID 103134451
(1S)-1-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 103133258
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
[3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanol
CID 107690882
3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]aniline
CID 103132575
4-[2-(oxan-2-ylmethoxy)phenyl]but-3-yn-1-ol
CID 54923275
2-[(5-methyloxolan-2-yl)methoxy]benzonitrile
CID 103134244
2-methyl-5-[(2-methylphenoxy)methyl]oxolane
CID 103141002
2-fluoro-4-[(5-methyloxolan-2-yl)methoxy]benzonitrile
CID 103143092

Frequently Asked Questions

What is the IUPAC name of 4-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]but-3-yn-1-ol?
The IUPAC name of 4-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]but-3-yn-1-ol (CID 103136463) is 4-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]but-3-yn-1-ol.
What is the SMILES notation for 4-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]but-3-yn-1-ol?
The canonical SMILES for 4-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]but-3-yn-1-ol is CC1CCC(COc2cc(F)ccc2C#CCCO)O1.
What is the InChIKey of 4-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]but-3-yn-1-ol?
The InChIKey is PCUOAMFKPBCPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FO3/c1-12-5-8-15(20-12)11-19-16-10-14(17)7-6-13(16)4-2-3-9-18/h6-7,10,12,15,18H,3,5,8-9,11H2,1H3.
What are the key properties of 4-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]but-3-yn-1-ol?
4-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]but-3-yn-1-ol has a molecular weight of 278.32 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]but-3-yn-1-ol is sourced from PubChem (CID 103136463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).