4-[(2,6-difluorophenoxy)methyl]oxan-4-ol

C12H14F2O3 — CID 167772945

IUPAC4-[(2,6-difluorophenoxy)methyl]oxan-4-ol
SMILESOC1(COc2c(F)cccc2F)CCOCC1
InChIInChI=1S/C12H14F2O3/c13-9-2-1-3-10(14)11(9)17-8-12(15)4-6-16-7-5-12/h1-3,15H,4-8H2
InChIKeyNLMNJNRFAZXRKD-UHFFFAOYSA-N
MW244.24 g/mol
LogP1.89
Rot. Bonds3

About 4-[(2,6-difluorophenoxy)methyl]oxan-4-ol

4-[(2,6-difluorophenoxy)methyl]oxan-4-ol (PubChem CID 167772945) has the molecular formula C12H14F2O3 and a molecular weight of 244.24 g/mol. Its IUPAC name is 4-[(2,6-difluorophenoxy)methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[(2,6-difluorophenoxy)methyl]oxan-4-ol
PubChem CID167772945
Molecular FormulaC12H14F2O3
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Name4-[(2,6-difluorophenoxy)methyl]oxan-4-ol
SMILESOC1(COc2c(F)cccc2F)CCOCC1
InChIInChI=1S/C12H14F2O3/c13-9-2-1-3-10(14)11(9)17-8-12(15)4-6-16-7-5-12/h1-3,15H,4-8H2
InChIKeyNLMNJNRFAZXRKD-UHFFFAOYSA-N
XLogP1.89
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-fluoro-4-methylphenoxy)methyl]oxan-4-ol
CID 90208688
1-[[2-fluoro-6-(methylaminomethyl)phenoxy]methyl]cyclopentan-1-ol
CID 112608937
2-fluoro-6-hydroxy-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 104919925
4-[(4-aminophenoxy)methyl]oxan-4-ol
CID 123445715
1-(2,3-difluorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936339
4-[(2-amino-3-fluoroanilino)methyl]oxan-4-ol
CID 81134791
4-[(2-amino-3-fluoro-N-methylanilino)methyl]oxan-4-ol
CID 114947799
4-[[(3-fluoro-2-hydroxyphenyl)methylamino]methyl]oxan-4-ol
CID 112607096
4-[(4-ethylphenoxy)methyl]oxan-4-ol
CID 126703265
4-[[(2-chloro-3-fluorophenyl)methylamino]methyl]oxan-4-ol
CID 112652187
4-(2-fluorophenyl)oxan-4-ol
CID 63220717
2-(2,6-difluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide
CID 114951477

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluorophenoxy)methyl]oxan-4-ol?
The IUPAC name of 4-[(2,6-difluorophenoxy)methyl]oxan-4-ol (CID 167772945) is 4-[(2,6-difluorophenoxy)methyl]oxan-4-ol.
What is the SMILES notation for 4-[(2,6-difluorophenoxy)methyl]oxan-4-ol?
The canonical SMILES for 4-[(2,6-difluorophenoxy)methyl]oxan-4-ol is OC1(COc2c(F)cccc2F)CCOCC1.
What is the InChIKey of 4-[(2,6-difluorophenoxy)methyl]oxan-4-ol?
The InChIKey is NLMNJNRFAZXRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O3/c13-9-2-1-3-10(14)11(9)17-8-12(15)4-6-16-7-5-12/h1-3,15H,4-8H2.
What are the key properties of 4-[(2,6-difluorophenoxy)methyl]oxan-4-ol?
4-[(2,6-difluorophenoxy)methyl]oxan-4-ol has a molecular weight of 244.24 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-difluorophenoxy)methyl]oxan-4-ol is sourced from PubChem (CID 167772945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).