[2-chloro-6-(2,3-difluorophenoxy)phenyl]methanol

C13H9ClF2O2 — CID 63036250

IUPAC[2-chloro-6-(2,3-difluorophenoxy)phenyl]methanol
SMILESOCc1c(Cl)cccc1Oc1cccc(F)c1F
InChIInChI=1S/C13H9ClF2O2/c14-9-3-1-5-11(8(9)7-17)18-12-6-2-4-10(15)13(12)16/h1-6,17H,7H2
InChIKeyVKGAQKZNKSKLTP-UHFFFAOYSA-N
MW270.66 g/mol
LogP3.90
Rot. Bonds3

About [2-chloro-6-(2,3-difluorophenoxy)phenyl]methanol

[2-chloro-6-(2,3-difluorophenoxy)phenyl]methanol (PubChem CID 63036250) has the molecular formula C13H9ClF2O2 and a molecular weight of 270.66 g/mol. Its IUPAC name is [2-chloro-6-(2,3-difluorophenoxy)phenyl]methanol.

Molecular Properties

Compound Name[2-chloro-6-(2,3-difluorophenoxy)phenyl]methanol
PubChem CID63036250
Molecular FormulaC13H9ClF2O2
Molecular Weight270.66 g/mol
Exact Mass270.03
IUPAC Name[2-chloro-6-(2,3-difluorophenoxy)phenyl]methanol
SMILESOCc1c(Cl)cccc1Oc1cccc(F)c1F
InChIInChI=1S/C13H9ClF2O2/c14-9-3-1-5-11(8(9)7-17)18-12-6-2-4-10(15)13(12)16/h1-6,17H,7H2
InChIKeyVKGAQKZNKSKLTP-UHFFFAOYSA-N
XLogP3.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.66
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(2,3-difluorophenoxy)phenyl]methanol?
The IUPAC name of [2-chloro-6-(2,3-difluorophenoxy)phenyl]methanol (CID 63036250) is [2-chloro-6-(2,3-difluorophenoxy)phenyl]methanol.
What is the SMILES notation for [2-chloro-6-(2,3-difluorophenoxy)phenyl]methanol?
The canonical SMILES for [2-chloro-6-(2,3-difluorophenoxy)phenyl]methanol is OCc1c(Cl)cccc1Oc1cccc(F)c1F.
What is the InChIKey of [2-chloro-6-(2,3-difluorophenoxy)phenyl]methanol?
The InChIKey is VKGAQKZNKSKLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2O2/c14-9-3-1-5-11(8(9)7-17)18-12-6-2-4-10(15)13(12)16/h1-6,17H,7H2.
What are the key properties of [2-chloro-6-(2,3-difluorophenoxy)phenyl]methanol?
[2-chloro-6-(2,3-difluorophenoxy)phenyl]methanol has a molecular weight of 270.66 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(2,3-difluorophenoxy)phenyl]methanol is sourced from PubChem (CID 63036250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).