3-(2,6-dichlorophenyl)-5-fluoro-2-methoxyphenol

C13H9Cl2FO2 — CID 58733990

IUPAC3-(2,6-dichlorophenyl)-5-fluoro-2-methoxyphenol
SMILESCOc1c(O)cc(F)cc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C13H9Cl2FO2/c1-18-13-8(5-7(16)6-11(13)17)12-9(14)3-2-4-10(12)15/h2-6,17H,1H3
InChIKeyHEVGHMVDLVEQCI-UHFFFAOYSA-N
MW287.12 g/mol
LogP4.51
Rot. Bonds2

About 3-(2,6-dichlorophenyl)-5-fluoro-2-methoxyphenol

3-(2,6-dichlorophenyl)-5-fluoro-2-methoxyphenol (PubChem CID 58733990) has the molecular formula C13H9Cl2FO2 and a molecular weight of 287.12 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-5-fluoro-2-methoxyphenol.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-5-fluoro-2-methoxyphenol
PubChem CID58733990
Molecular FormulaC13H9Cl2FO2
Molecular Weight287.12 g/mol
Exact Mass286.00
IUPAC Name3-(2,6-dichlorophenyl)-5-fluoro-2-methoxyphenol
SMILESCOc1c(O)cc(F)cc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C13H9Cl2FO2/c1-18-13-8(5-7(16)6-11(13)17)12-9(14)3-2-4-10(12)15/h2-6,17H,1H3
InChIKeyHEVGHMVDLVEQCI-UHFFFAOYSA-N
XLogP4.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.12
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-5-fluoro-2-methoxyphenol?
The IUPAC name of 3-(2,6-dichlorophenyl)-5-fluoro-2-methoxyphenol (CID 58733990) is 3-(2,6-dichlorophenyl)-5-fluoro-2-methoxyphenol.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-5-fluoro-2-methoxyphenol?
The canonical SMILES for 3-(2,6-dichlorophenyl)-5-fluoro-2-methoxyphenol is COc1c(O)cc(F)cc1-c1c(Cl)cccc1Cl.
What is the InChIKey of 3-(2,6-dichlorophenyl)-5-fluoro-2-methoxyphenol?
The InChIKey is HEVGHMVDLVEQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FO2/c1-18-13-8(5-7(16)6-11(13)17)12-9(14)3-2-4-10(12)15/h2-6,17H,1H3.
What are the key properties of 3-(2,6-dichlorophenyl)-5-fluoro-2-methoxyphenol?
3-(2,6-dichlorophenyl)-5-fluoro-2-methoxyphenol has a molecular weight of 287.12 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-5-fluoro-2-methoxyphenol is sourced from PubChem (CID 58733990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).