3-(2,4-difluorophenoxy)-2,5-difluorophenol

C12H6F4O2 — CID 173271189

IUPAC3-(2,4-difluorophenoxy)-2,5-difluorophenol
SMILESOc1cc(F)cc(Oc2ccc(F)cc2F)c1F
InChIInChI=1S/C12H6F4O2/c13-6-1-2-10(8(15)3-6)18-11-5-7(14)4-9(17)12(11)16/h1-5,17H
InChIKeyNDUDXZMXVQKYQO-UHFFFAOYSA-N
MW258.17 g/mol
LogP3.74
Rot. Bonds2

About 3-(2,4-difluorophenoxy)-2,5-difluorophenol

3-(2,4-difluorophenoxy)-2,5-difluorophenol (PubChem CID 173271189) has the molecular formula C12H6F4O2 and a molecular weight of 258.17 g/mol. Its IUPAC name is 3-(2,4-difluorophenoxy)-2,5-difluorophenol.

Molecular Properties

Compound Name3-(2,4-difluorophenoxy)-2,5-difluorophenol
PubChem CID173271189
Molecular FormulaC12H6F4O2
Molecular Weight258.17 g/mol
Exact Mass258.03
IUPAC Name3-(2,4-difluorophenoxy)-2,5-difluorophenol
SMILESOc1cc(F)cc(Oc2ccc(F)cc2F)c1F
InChIInChI=1S/C12H6F4O2/c13-6-1-2-10(8(15)3-6)18-11-5-7(14)4-9(17)12(11)16/h1-5,17H
InChIKeyNDUDXZMXVQKYQO-UHFFFAOYSA-N
XLogP3.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.17
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methoxyphenol
CID 9007
3-Phenoxyphenol
CID 12842
3,5-Dimethoxyphenol
CID 10383
3-Ethoxyphenol
CID 69306
1,3-Diphenoxybenzene
CID 76911
3-Butoxyphenol
CID 87876
Phenol, 3,3'-[1,2-ethanediylbis(oxy)]bis-
CID 109057
2,2',3-Trihydroxydiphenyl ether
CID 182886
Phenol, 3-(3-phenoxyphenoxy)-
CID 84251
Benzyl 3-hydroxyphenyl ether
CID 138048
3-(Prop-2-yn-1-yloxy)phenol
CID 11073569
1,3-Bis(1,1,2,2-tetrafluoroethoxy)benzene
CID 77517

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenoxy)-2,5-difluorophenol?
The IUPAC name of 3-(2,4-difluorophenoxy)-2,5-difluorophenol (CID 173271189) is 3-(2,4-difluorophenoxy)-2,5-difluorophenol.
What is the SMILES notation for 3-(2,4-difluorophenoxy)-2,5-difluorophenol?
The canonical SMILES for 3-(2,4-difluorophenoxy)-2,5-difluorophenol is Oc1cc(F)cc(Oc2ccc(F)cc2F)c1F.
What is the InChIKey of 3-(2,4-difluorophenoxy)-2,5-difluorophenol?
The InChIKey is NDUDXZMXVQKYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F4O2/c13-6-1-2-10(8(15)3-6)18-11-5-7(14)4-9(17)12(11)16/h1-5,17H.
What are the key properties of 3-(2,4-difluorophenoxy)-2,5-difluorophenol?
3-(2,4-difluorophenoxy)-2,5-difluorophenol has a molecular weight of 258.17 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenoxy)-2,5-difluorophenol is sourced from PubChem (CID 173271189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).