3-(2,6-difluorophenyl)phenol

C12H8F2O — CID 53218544

IUPAC3-(2,6-difluorophenyl)phenol
SMILESOc1cccc(-c2c(F)cccc2F)c1
InChIInChI=1S/C12H8F2O/c13-10-5-2-6-11(14)12(10)8-3-1-4-9(15)7-8/h1-7,15H
InChIKeyKRYIUZXFAWLDBO-UHFFFAOYSA-N
MW206.19 g/mol
LogP3.34
Rot. Bonds1

About 3-(2,6-difluorophenyl)phenol

3-(2,6-difluorophenyl)phenol (PubChem CID 53218544) has the molecular formula C12H8F2O and a molecular weight of 206.19 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)phenol.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)phenol
PubChem CID53218544
Molecular FormulaC12H8F2O
Molecular Weight206.19 g/mol
Exact Mass206.05
IUPAC Name3-(2,6-difluorophenyl)phenol
SMILESOc1cccc(-c2c(F)cccc2F)c1
InChIInChI=1S/C12H8F2O/c13-10-5-2-6-11(14)12(10)8-3-1-4-9(15)7-8/h1-7,15H
InChIKeyKRYIUZXFAWLDBO-UHFFFAOYSA-N
XLogP3.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)phenol?
The IUPAC name of 3-(2,6-difluorophenyl)phenol (CID 53218544) is 3-(2,6-difluorophenyl)phenol.
What is the SMILES notation for 3-(2,6-difluorophenyl)phenol?
The canonical SMILES for 3-(2,6-difluorophenyl)phenol is Oc1cccc(-c2c(F)cccc2F)c1.
What is the InChIKey of 3-(2,6-difluorophenyl)phenol?
The InChIKey is KRYIUZXFAWLDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2O/c13-10-5-2-6-11(14)12(10)8-3-1-4-9(15)7-8/h1-7,15H.
What are the key properties of 3-(2,6-difluorophenyl)phenol?
3-(2,6-difluorophenyl)phenol has a molecular weight of 206.19 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)phenol is sourced from PubChem (CID 53218544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).