4-(4-ethylphenyl)-2,3-difluorophenol

C14H12F2O — CID 19911018

IUPAC4-(4-ethylphenyl)-2,3-difluorophenol
SMILESCCc1ccc(-c2ccc(O)c(F)c2F)cc1
InChIInChI=1S/C14H12F2O/c1-2-9-3-5-10(6-4-9)11-7-8-12(17)14(16)13(11)15/h3-8,17H,2H2,1H3
InChIKeyVJFOSSKPANMBHN-UHFFFAOYSA-N
MW234.25 g/mol
LogP3.90
Rot. Bonds2

About 4-(4-ethylphenyl)-2,3-difluorophenol

4-(4-ethylphenyl)-2,3-difluorophenol (PubChem CID 19911018) has the molecular formula C14H12F2O and a molecular weight of 234.25 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-2,3-difluorophenol.

Molecular Properties

Compound Name4-(4-ethylphenyl)-2,3-difluorophenol
PubChem CID19911018
Molecular FormulaC14H12F2O
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Name4-(4-ethylphenyl)-2,3-difluorophenol
SMILESCCc1ccc(-c2ccc(O)c(F)c2F)cc1
InChIInChI=1S/C14H12F2O/c1-2-9-3-5-10(6-4-9)11-7-8-12(17)14(16)13(11)15/h3-8,17H,2H2,1H3
InChIKeyVJFOSSKPANMBHN-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-(4-ethylphenyl)-2,3-difluorophenol?
The IUPAC name of 4-(4-ethylphenyl)-2,3-difluorophenol (CID 19911018) is 4-(4-ethylphenyl)-2,3-difluorophenol.
What is the SMILES notation for 4-(4-ethylphenyl)-2,3-difluorophenol?
The canonical SMILES for 4-(4-ethylphenyl)-2,3-difluorophenol is CCc1ccc(-c2ccc(O)c(F)c2F)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-2,3-difluorophenol?
The InChIKey is VJFOSSKPANMBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2O/c1-2-9-3-5-10(6-4-9)11-7-8-12(17)14(16)13(11)15/h3-8,17H,2H2,1H3.
What are the key properties of 4-(4-ethylphenyl)-2,3-difluorophenol?
4-(4-ethylphenyl)-2,3-difluorophenol 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-(4-ethylphenyl)-2,3-difluorophenol is sourced from PubChem (CID 19911018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).