[3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanol

C13H17FO3 — CID 107690882

IUPAC[3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanol
SMILESCC1CCC(COc2ccc(CO)cc2F)O1
InChIInChI=1S/C13H17FO3/c1-9-2-4-11(17-9)8-16-13-5-3-10(7-15)6-12(13)14/h3,5-6,9,11,15H,2,4,7-8H2,1H3
InChIKeyGJCWBVAWXCJHLN-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.26
Rot. Bonds4

About [3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanol

[3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanol (PubChem CID 107690882) has the molecular formula C13H17FO3 and a molecular weight of 240.27 g/mol. Its IUPAC name is [3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanol
PubChem CID107690882
Molecular FormulaC13H17FO3
Molecular Weight240.27 g/mol
Exact Mass240.12
IUPAC Name[3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanol
SMILESCC1CCC(COc2ccc(CO)cc2F)O1
InChIInChI=1S/C13H17FO3/c1-9-2-4-11(17-9)8-16-13-5-3-10(7-15)6-12(13)14/h3,5-6,9,11,15H,2,4,7-8H2,1H3
InChIKeyGJCWBVAWXCJHLN-UHFFFAOYSA-N
XLogP2.26
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]aniline
CID 103132575
(1R)-1-[3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 103133470
[3-fluoro-4-(oxan-4-ylmethoxy)phenyl]methanol
CID 107690757
[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol
CID 107690789
trifluoro-[5-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide
CID 103135573
[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]methanol
CID 107690615
2-[(5-fluoro-2-methylphenoxy)methyl]-5-methyloxolane
CID 103141088
2-[[4-(bromomethyl)-2,6-difluorophenoxy]methyl]-5-methyloxolane
CID 103135410
2-[(2-bromo-5-fluorophenoxy)methyl]-5-methyloxolane
CID 103134451
3-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]prop-2-yn-1-ol
CID 103136462
N-[[3,5-difluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]ethanamine
CID 103133316
4-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]but-3-yn-1-ol
CID 103136463

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanol?
The IUPAC name of [3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanol (CID 107690882) is [3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanol.
What is the SMILES notation for [3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanol?
The canonical SMILES for [3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanol is CC1CCC(COc2ccc(CO)cc2F)O1.
What is the InChIKey of [3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanol?
The InChIKey is GJCWBVAWXCJHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO3/c1-9-2-4-11(17-9)8-16-13-5-3-10(7-15)6-12(13)14/h3,5-6,9,11,15H,2,4,7-8H2,1H3.
What are the key properties of [3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanol?
[3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanol has a molecular weight of 240.27 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanol is sourced from PubChem (CID 107690882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).