5-(2,4-difluorophenyl)benzene-1,3-diol

C12H8F2O2 — CID 171771394

IUPAC5-(2,4-difluorophenyl)benzene-1,3-diol
SMILESOc1cc(O)cc(-c2ccc(F)cc2F)c1
InChIInChI=1S/C12H8F2O2/c13-8-1-2-11(12(14)5-8)7-3-9(15)6-10(16)4-7/h1-6,15-16H
InChIKeyIOADNQBKCXPTDA-UHFFFAOYSA-N
MW222.19 g/mol
LogP3.04
Rot. Bonds1

About 5-(2,4-difluorophenyl)benzene-1,3-diol

5-(2,4-difluorophenyl)benzene-1,3-diol (PubChem CID 171771394) has the molecular formula C12H8F2O2 and a molecular weight of 222.19 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)benzene-1,3-diol.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)benzene-1,3-diol
PubChem CID171771394
Molecular FormulaC12H8F2O2
Molecular Weight222.19 g/mol
Exact Mass222.05
IUPAC Name5-(2,4-difluorophenyl)benzene-1,3-diol
SMILESOc1cc(O)cc(-c2ccc(F)cc2F)c1
InChIInChI=1S/C12H8F2O2/c13-8-1-2-11(12(14)5-8)7-3-9(15)6-10(16)4-7/h1-6,15-16H
InChIKeyIOADNQBKCXPTDA-UHFFFAOYSA-N
XLogP3.04
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.19
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)benzene-1,3-diol?
The IUPAC name of 5-(2,4-difluorophenyl)benzene-1,3-diol (CID 171771394) is 5-(2,4-difluorophenyl)benzene-1,3-diol.
What is the SMILES notation for 5-(2,4-difluorophenyl)benzene-1,3-diol?
The canonical SMILES for 5-(2,4-difluorophenyl)benzene-1,3-diol is Oc1cc(O)cc(-c2ccc(F)cc2F)c1.
What is the InChIKey of 5-(2,4-difluorophenyl)benzene-1,3-diol?
The InChIKey is IOADNQBKCXPTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2O2/c13-8-1-2-11(12(14)5-8)7-3-9(15)6-10(16)4-7/h1-6,15-16H.
What are the key properties of 5-(2,4-difluorophenyl)benzene-1,3-diol?
5-(2,4-difluorophenyl)benzene-1,3-diol has a molecular weight of 222.19 g/mol, XLogP of 3.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)benzene-1,3-diol is sourced from PubChem (CID 171771394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).