2-fluoro-3-[(3-fluoro-4-methoxyphenoxy)methoxy]phenol

C14H12F2O4 — CID 167070066

IUPAC2-fluoro-3-[(3-fluoro-4-methoxyphenoxy)methoxy]phenol
SMILESCOc1ccc(OCOc2cccc(O)c2F)cc1F
InChIInChI=1S/C14H12F2O4/c1-18-12-6-5-9(7-10(12)15)19-8-20-13-4-2-3-11(17)14(13)16/h2-7,17H,8H2,1H3
InChIKeyGDCUPANDZGWFQZ-UHFFFAOYSA-N
MW282.24 g/mol
LogP3.09
Rot. Bonds5

About 2-fluoro-3-[(3-fluoro-4-methoxyphenoxy)methoxy]phenol

2-fluoro-3-[(3-fluoro-4-methoxyphenoxy)methoxy]phenol (PubChem CID 167070066) has the molecular formula C14H12F2O4 and a molecular weight of 282.24 g/mol. Its IUPAC name is 2-fluoro-3-[(3-fluoro-4-methoxyphenoxy)methoxy]phenol.

Molecular Properties

Compound Name2-fluoro-3-[(3-fluoro-4-methoxyphenoxy)methoxy]phenol
PubChem CID167070066
Molecular FormulaC14H12F2O4
Molecular Weight282.24 g/mol
Exact Mass282.07
IUPAC Name2-fluoro-3-[(3-fluoro-4-methoxyphenoxy)methoxy]phenol
SMILESCOc1ccc(OCOc2cccc(O)c2F)cc1F
InChIInChI=1S/C14H12F2O4/c1-18-12-6-5-9(7-10(12)15)19-8-20-13-4-2-3-11(17)14(13)16/h2-7,17H,8H2,1H3
InChIKeyGDCUPANDZGWFQZ-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 2-fluoro-3-[(3-fluoro-4-methoxyphenoxy)methoxy]phenol?
The IUPAC name of 2-fluoro-3-[(3-fluoro-4-methoxyphenoxy)methoxy]phenol (CID 167070066) is 2-fluoro-3-[(3-fluoro-4-methoxyphenoxy)methoxy]phenol.
What is the SMILES notation for 2-fluoro-3-[(3-fluoro-4-methoxyphenoxy)methoxy]phenol?
The canonical SMILES for 2-fluoro-3-[(3-fluoro-4-methoxyphenoxy)methoxy]phenol is COc1ccc(OCOc2cccc(O)c2F)cc1F.
What is the InChIKey of 2-fluoro-3-[(3-fluoro-4-methoxyphenoxy)methoxy]phenol?
The InChIKey is GDCUPANDZGWFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2O4/c1-18-12-6-5-9(7-10(12)15)19-8-20-13-4-2-3-11(17)14(13)16/h2-7,17H,8H2,1H3.
What are the key properties of 2-fluoro-3-[(3-fluoro-4-methoxyphenoxy)methoxy]phenol?
2-fluoro-3-[(3-fluoro-4-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 2-fluoro-3-[(3-fluoro-4-methoxyphenoxy)methoxy]phenol is sourced from PubChem (CID 167070066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).