3-chloro-5-(2,6-difluorophenyl)phenol

C12H7ClF2O — CID 53221278

IUPAC3-chloro-5-(2,6-difluorophenyl)phenol
SMILESOc1cc(Cl)cc(-c2c(F)cccc2F)c1
InChIInChI=1S/C12H7ClF2O/c13-8-4-7(5-9(16)6-8)12-10(14)2-1-3-11(12)15/h1-6,16H
InChIKeyJYQYIKOIUNHYEV-UHFFFAOYSA-N
MW240.64 g/mol
LogP3.99
Rot. Bonds1

About 3-chloro-5-(2,6-difluorophenyl)phenol

3-chloro-5-(2,6-difluorophenyl)phenol (PubChem CID 53221278) has the molecular formula C12H7ClF2O and a molecular weight of 240.64 g/mol. Its IUPAC name is 3-chloro-5-(2,6-difluorophenyl)phenol.

Molecular Properties

Compound Name3-chloro-5-(2,6-difluorophenyl)phenol
PubChem CID53221278
Molecular FormulaC12H7ClF2O
Molecular Weight240.64 g/mol
Exact Mass240.02
IUPAC Name3-chloro-5-(2,6-difluorophenyl)phenol
SMILESOc1cc(Cl)cc(-c2c(F)cccc2F)c1
InChIInChI=1S/C12H7ClF2O/c13-8-4-7(5-9(16)6-8)12-10(14)2-1-3-11(12)15/h1-6,16H
InChIKeyJYQYIKOIUNHYEV-UHFFFAOYSA-N
XLogP3.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.64
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2,6-difluorophenyl)phenol?
The IUPAC name of 3-chloro-5-(2,6-difluorophenyl)phenol (CID 53221278) is 3-chloro-5-(2,6-difluorophenyl)phenol.
What is the SMILES notation for 3-chloro-5-(2,6-difluorophenyl)phenol?
The canonical SMILES for 3-chloro-5-(2,6-difluorophenyl)phenol is Oc1cc(Cl)cc(-c2c(F)cccc2F)c1.
What is the InChIKey of 3-chloro-5-(2,6-difluorophenyl)phenol?
The InChIKey is JYQYIKOIUNHYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF2O/c13-8-4-7(5-9(16)6-8)12-10(14)2-1-3-11(12)15/h1-6,16H.
What are the key properties of 3-chloro-5-(2,6-difluorophenyl)phenol?
3-chloro-5-(2,6-difluorophenyl)phenol has a molecular weight of 240.64 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2,6-difluorophenyl)phenol is sourced from PubChem (CID 53221278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).