[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]methanol

C12H15FO3 — CID 107690615

IUPAC[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]methanol
SMILESOCc1ccc(OCC2CCOC2)c(F)c1
InChIInChI=1S/C12H15FO3/c13-11-5-9(6-14)1-2-12(11)16-8-10-3-4-15-7-10/h1-2,5,10,14H,3-4,6-8H2
InChIKeyHSUWOBRVXIALGR-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.73
Rot. Bonds4

About [3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]methanol

[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]methanol (PubChem CID 107690615) has the molecular formula C12H15FO3 and a molecular weight of 226.25 g/mol. Its IUPAC name is [3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]methanol
PubChem CID107690615
Molecular FormulaC12H15FO3
Molecular Weight226.25 g/mol
Exact Mass226.10
IUPAC Name[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]methanol
SMILESOCc1ccc(OCC2CCOC2)c(F)c1
InChIInChI=1S/C12H15FO3/c13-11-5-9(6-14)1-2-12(11)16-8-10-3-4-15-7-10/h1-2,5,10,14H,3-4,6-8H2
InChIKeyHSUWOBRVXIALGR-UHFFFAOYSA-N
XLogP1.73
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-fluoro-4-(oxan-4-ylmethoxy)phenyl]methanol
CID 107690757
N-[[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 107687270
3-[(2-fluorophenoxy)methyl]oxolane
CID 60773526
[3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanol
CID 107690882
[5-methyl-2-(oxolan-3-ylmethoxy)phenyl]methanol
CID 54595110
3-[(2-fluoro-5-methylphenoxy)methyl]oxolane
CID 64853732
[5-fluoro-2-[[(3R)-oxolan-3-yl]methoxy]phenyl]boronic acid
CID 99773305
3-[(2,4-dibromophenoxy)methyl]oxolane
CID 91641548
[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol
CID 107690789
[3,5-difluoro-4-(oxolan-3-ylmethoxy)phenyl]methanamine
CID 79886568
N-[2-(4-aminophenyl)ethyl]-3-fluoro-4-(oxolan-3-ylmethoxy)benzenesulfonamide
CID 120715810
[4-(2-cyclohexylethoxy)-3-fluorophenyl]methanol
CID 114191393

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]methanol?
The IUPAC name of [3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]methanol (CID 107690615) is [3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]methanol.
What is the SMILES notation for [3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]methanol?
The canonical SMILES for [3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]methanol is OCc1ccc(OCC2CCOC2)c(F)c1.
What is the InChIKey of [3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]methanol?
The InChIKey is HSUWOBRVXIALGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO3/c13-11-5-9(6-14)1-2-12(11)16-8-10-3-4-15-7-10/h1-2,5,10,14H,3-4,6-8H2.
What are the key properties of [3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]methanol?
[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]methanol has a molecular weight of 226.25 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]methanol is sourced from PubChem (CID 107690615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).