3-[(2,5-difluoro-3-methoxyphenoxy)methoxy]-2,4-difluorophenol

C14H10F4O4 — CID 167070063

IUPAC3-[(2,5-difluoro-3-methoxyphenoxy)methoxy]-2,4-difluorophenol
SMILESCOc1cc(F)cc(OCOc2c(F)ccc(O)c2F)c1F
InChIInChI=1S/C14H10F4O4/c1-20-10-4-7(15)5-11(13(10)18)21-6-22-14-8(16)2-3-9(19)12(14)17/h2-5,19H,6H2,1H3
InChIKeyVZCAMROBYCPQLP-UHFFFAOYSA-N
MW318.22 g/mol
LogP3.37
Rot. Bonds5

About 3-[(2,5-difluoro-3-methoxyphenoxy)methoxy]-2,4-difluorophenol

3-[(2,5-difluoro-3-methoxyphenoxy)methoxy]-2,4-difluorophenol (PubChem CID 167070063) has the molecular formula C14H10F4O4 and a molecular weight of 318.22 g/mol. Its IUPAC name is 3-[(2,5-difluoro-3-methoxyphenoxy)methoxy]-2,4-difluorophenol.

Molecular Properties

Compound Name3-[(2,5-difluoro-3-methoxyphenoxy)methoxy]-2,4-difluorophenol
PubChem CID167070063
Molecular FormulaC14H10F4O4
Molecular Weight318.22 g/mol
Exact Mass318.05
IUPAC Name3-[(2,5-difluoro-3-methoxyphenoxy)methoxy]-2,4-difluorophenol
SMILESCOc1cc(F)cc(OCOc2c(F)ccc(O)c2F)c1F
InChIInChI=1S/C14H10F4O4/c1-20-10-4-7(15)5-11(13(10)18)21-6-22-14-8(16)2-3-9(19)12(14)17/h2-5,19H,6H2,1H3
InChIKeyVZCAMROBYCPQLP-UHFFFAOYSA-N
XLogP3.37
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.22
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-difluoro-3-methoxyphenoxy)methoxy]-2,4-difluorophenol?
The IUPAC name of 3-[(2,5-difluoro-3-methoxyphenoxy)methoxy]-2,4-difluorophenol (CID 167070063) is 3-[(2,5-difluoro-3-methoxyphenoxy)methoxy]-2,4-difluorophenol.
What is the SMILES notation for 3-[(2,5-difluoro-3-methoxyphenoxy)methoxy]-2,4-difluorophenol?
The canonical SMILES for 3-[(2,5-difluoro-3-methoxyphenoxy)methoxy]-2,4-difluorophenol is COc1cc(F)cc(OCOc2c(F)ccc(O)c2F)c1F.
What is the InChIKey of 3-[(2,5-difluoro-3-methoxyphenoxy)methoxy]-2,4-difluorophenol?
The InChIKey is VZCAMROBYCPQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4O4/c1-20-10-4-7(15)5-11(13(10)18)21-6-22-14-8(16)2-3-9(19)12(14)17/h2-5,19H,6H2,1H3.
What are the key properties of 3-[(2,5-difluoro-3-methoxyphenoxy)methoxy]-2,4-difluorophenol?
3-[(2,5-difluoro-3-methoxyphenoxy)methoxy]-2,4-difluorophenol has a molecular weight of 318.22 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-difluoro-3-methoxyphenoxy)methoxy]-2,4-difluorophenol is sourced from PubChem (CID 167070063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).