3-fluoro-5-[(2-fluoro-5-methoxyphenoxy)methoxy]phenol

C14H12F2O4 — CID 167070051

IUPAC3-fluoro-5-[(2-fluoro-5-methoxyphenoxy)methoxy]phenol
SMILESCOc1ccc(F)c(OCOc2cc(O)cc(F)c2)c1
InChIInChI=1S/C14H12F2O4/c1-18-11-2-3-13(16)14(7-11)20-8-19-12-5-9(15)4-10(17)6-12/h2-7,17H,8H2,1H3
InChIKeyOERRHLKNCSMNLY-UHFFFAOYSA-N
MW282.24 g/mol
LogP3.09
Rot. Bonds5

About 3-fluoro-5-[(2-fluoro-5-methoxyphenoxy)methoxy]phenol

3-fluoro-5-[(2-fluoro-5-methoxyphenoxy)methoxy]phenol (PubChem CID 167070051) has the molecular formula C14H12F2O4 and a molecular weight of 282.24 g/mol. Its IUPAC name is 3-fluoro-5-[(2-fluoro-5-methoxyphenoxy)methoxy]phenol.

Molecular Properties

Compound Name3-fluoro-5-[(2-fluoro-5-methoxyphenoxy)methoxy]phenol
PubChem CID167070051
Molecular FormulaC14H12F2O4
Molecular Weight282.24 g/mol
Exact Mass282.07
IUPAC Name3-fluoro-5-[(2-fluoro-5-methoxyphenoxy)methoxy]phenol
SMILESCOc1ccc(F)c(OCOc2cc(O)cc(F)c2)c1
InChIInChI=1S/C14H12F2O4/c1-18-11-2-3-13(16)14(7-11)20-8-19-12-5-9(15)4-10(17)6-12/h2-7,17H,8H2,1H3
InChIKeyOERRHLKNCSMNLY-UHFFFAOYSA-N
XLogP3.09
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.24
LogP ≤ 53.09
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-fluoro-5-[(2-fluoro-5-methoxyphenoxy)methoxy]phenol?
The IUPAC name of 3-fluoro-5-[(2-fluoro-5-methoxyphenoxy)methoxy]phenol (CID 167070051) is 3-fluoro-5-[(2-fluoro-5-methoxyphenoxy)methoxy]phenol.
What is the SMILES notation for 3-fluoro-5-[(2-fluoro-5-methoxyphenoxy)methoxy]phenol?
The canonical SMILES for 3-fluoro-5-[(2-fluoro-5-methoxyphenoxy)methoxy]phenol is COc1ccc(F)c(OCOc2cc(O)cc(F)c2)c1.
What is the InChIKey of 3-fluoro-5-[(2-fluoro-5-methoxyphenoxy)methoxy]phenol?
The InChIKey is OERRHLKNCSMNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2O4/c1-18-11-2-3-13(16)14(7-11)20-8-19-12-5-9(15)4-10(17)6-12/h2-7,17H,8H2,1H3.
What are the key properties of 3-fluoro-5-[(2-fluoro-5-methoxyphenoxy)methoxy]phenol?
3-fluoro-5-[(2-fluoro-5-methoxyphenoxy)methoxy]phenol has a molecular weight of 282.24 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[(2-fluoro-5-methoxyphenoxy)methoxy]phenol is sourced from PubChem (CID 167070051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).