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

C13H17FO3 — CID 107690757

IUPAC[3-fluoro-4-(oxan-4-ylmethoxy)phenyl]methanol
SMILESOCc1ccc(OCC2CCOCC2)c(F)c1
InChIInChI=1S/C13H17FO3/c14-12-7-11(8-15)1-2-13(12)17-9-10-3-5-16-6-4-10/h1-2,7,10,15H,3-6,8-9H2
InChIKeyWPOUYMLQPWJBMZ-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.12
Rot. Bonds4

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

[3-fluoro-4-(oxan-4-ylmethoxy)phenyl]methanol (PubChem CID 107690757) has the molecular formula C13H17FO3 and a molecular weight of 240.27 g/mol. Its IUPAC name is [3-fluoro-4-(oxan-4-ylmethoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-4-(oxan-4-ylmethoxy)phenyl]methanol
PubChem CID107690757
Molecular FormulaC13H17FO3
Molecular Weight240.27 g/mol
Exact Mass240.12
IUPAC Name[3-fluoro-4-(oxan-4-ylmethoxy)phenyl]methanol
SMILESOCc1ccc(OCC2CCOCC2)c(F)c1
InChIInChI=1S/C13H17FO3/c14-12-7-11(8-15)1-2-13(12)17-9-10-3-5-16-6-4-10/h1-2,7,10,15H,3-6,8-9H2
InChIKeyWPOUYMLQPWJBMZ-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]methanol
CID 107690615
[3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanol
CID 107690882
[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol
CID 107690789
4-(chloromethyl)-1-(cyclopentylmethoxy)-2-fluorobenzene
CID 107691255
[3-chloro-4-(cyclobutylmethoxy)phenyl]methanol
CID 65459443
[4-(2-cyclohexylethoxy)-3-fluorophenyl]methanol
CID 114191393
N-[[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 107687270
2-[3-fluoro-4-(oxan-4-ylmethoxy)anilino]ethene-1,1,2-tricarbonitrile
CID 168608747
[4-(cyclopentylmethoxy)-3-(trifluoromethyl)phenyl]methanol
CID 63320664
4-[[4-(chloromethyl)-2-(trifluoromethyl)phenoxy]methyl]oxane
CID 63320632
5-[3-fluoro-4-(oxan-4-ylmethoxy)phenyl]furan-2-carbaldehyde
CID 169334199
1-[4-(cyclopentylmethoxy)-3-fluorophenyl]-N-methylmethanamine
CID 107686421

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(oxan-4-ylmethoxy)phenyl]methanol?
The IUPAC name of [3-fluoro-4-(oxan-4-ylmethoxy)phenyl]methanol (CID 107690757) is [3-fluoro-4-(oxan-4-ylmethoxy)phenyl]methanol.
What is the SMILES notation for [3-fluoro-4-(oxan-4-ylmethoxy)phenyl]methanol?
The canonical SMILES for [3-fluoro-4-(oxan-4-ylmethoxy)phenyl]methanol is OCc1ccc(OCC2CCOCC2)c(F)c1.
What is the InChIKey of [3-fluoro-4-(oxan-4-ylmethoxy)phenyl]methanol?
The InChIKey is WPOUYMLQPWJBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO3/c14-12-7-11(8-15)1-2-13(12)17-9-10-3-5-16-6-4-10/h1-2,7,10,15H,3-6,8-9H2.
What are the key properties of [3-fluoro-4-(oxan-4-ylmethoxy)phenyl]methanol?
[3-fluoro-4-(oxan-4-ylmethoxy)phenyl]methanol has a molecular weight of 240.27 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(oxan-4-ylmethoxy)phenyl]methanol is sourced from PubChem (CID 107690757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).