4-(2,4-difluorophenyl)-2-methylphenol

C13H10F2O — CID 53218882

IUPAC4-(2,4-difluorophenyl)-2-methylphenol
SMILESCc1cc(-c2ccc(F)cc2F)ccc1O
InChIInChI=1S/C13H10F2O/c1-8-6-9(2-5-13(8)16)11-4-3-10(14)7-12(11)15/h2-7,16H,1H3
InChIKeyRRBDMYMHMDCDBJ-UHFFFAOYSA-N
MW220.22 g/mol
LogP3.65
Rot. Bonds1

About 4-(2,4-difluorophenyl)-2-methylphenol

4-(2,4-difluorophenyl)-2-methylphenol (PubChem CID 53218882) has the molecular formula C13H10F2O and a molecular weight of 220.22 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-2-methylphenol.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-2-methylphenol
PubChem CID53218882
Molecular FormulaC13H10F2O
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Name4-(2,4-difluorophenyl)-2-methylphenol
SMILESCc1cc(-c2ccc(F)cc2F)ccc1O
InChIInChI=1S/C13H10F2O/c1-8-6-9(2-5-13(8)16)11-4-3-10(14)7-12(11)15/h2-7,16H,1H3
InChIKeyRRBDMYMHMDCDBJ-UHFFFAOYSA-N
XLogP3.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-2-methylphenol?
The IUPAC name of 4-(2,4-difluorophenyl)-2-methylphenol (CID 53218882) is 4-(2,4-difluorophenyl)-2-methylphenol.
What is the SMILES notation for 4-(2,4-difluorophenyl)-2-methylphenol?
The canonical SMILES for 4-(2,4-difluorophenyl)-2-methylphenol is Cc1cc(-c2ccc(F)cc2F)ccc1O.
What is the InChIKey of 4-(2,4-difluorophenyl)-2-methylphenol?
The InChIKey is RRBDMYMHMDCDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2O/c1-8-6-9(2-5-13(8)16)11-4-3-10(14)7-12(11)15/h2-7,16H,1H3.
What are the key properties of 4-(2,4-difluorophenyl)-2-methylphenol?
4-(2,4-difluorophenyl)-2-methylphenol has a molecular weight of 220.22 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-2-methylphenol is sourced from PubChem (CID 53218882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).