4-(2,4-difluorophenyl)-2-ethylphenol

C14H12F2O — CID 59810220

IUPAC4-(2,4-difluorophenyl)-2-ethylphenol
SMILESCCc1cc(-c2ccc(F)cc2F)ccc1O
InChIInChI=1S/C14H12F2O/c1-2-9-7-10(3-6-14(9)17)12-5-4-11(15)8-13(12)16/h3-8,17H,2H2,1H3
InChIKeyKRHFDEIHBNHEBL-UHFFFAOYSA-N
MW234.25 g/mol
LogP3.90
Rot. Bonds2

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

4-(2,4-difluorophenyl)-2-ethylphenol (PubChem CID 59810220) has the molecular formula C14H12F2O and a molecular weight of 234.25 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-2-ethylphenol.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-2-ethylphenol
PubChem CID59810220
Molecular FormulaC14H12F2O
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Name4-(2,4-difluorophenyl)-2-ethylphenol
SMILESCCc1cc(-c2ccc(F)cc2F)ccc1O
InChIInChI=1S/C14H12F2O/c1-2-9-7-10(3-6-14(9)17)12-5-4-11(15)8-13(12)16/h3-8,17H,2H2,1H3
InChIKeyKRHFDEIHBNHEBL-UHFFFAOYSA-N
XLogP3.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 53.90
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-ethylphenol?
The IUPAC name of 4-(2,4-difluorophenyl)-2-ethylphenol (CID 59810220) is 4-(2,4-difluorophenyl)-2-ethylphenol.
What is the SMILES notation for 4-(2,4-difluorophenyl)-2-ethylphenol?
The canonical SMILES for 4-(2,4-difluorophenyl)-2-ethylphenol is CCc1cc(-c2ccc(F)cc2F)ccc1O.
What is the InChIKey of 4-(2,4-difluorophenyl)-2-ethylphenol?
The InChIKey is KRHFDEIHBNHEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2O/c1-2-9-7-10(3-6-14(9)17)12-5-4-11(15)8-13(12)16/h3-8,17H,2H2,1H3.
What are the key properties of 4-(2,4-difluorophenyl)-2-ethylphenol?
4-(2,4-difluorophenyl)-2-ethylphenol has a molecular weight of 234.25 g/mol, XLogP of 3.90, 2 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-ethylphenol is sourced from PubChem (CID 59810220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).