4-[4-(difluoromethyl)phenyl]-3,5-dimethylphenol

C15H14F2O — CID 143276306

IUPAC4-[4-(difluoromethyl)phenyl]-3,5-dimethylphenol
SMILESCc1cc(O)cc(C)c1-c1ccc(C(F)F)cc1
InChIInChI=1S/C15H14F2O/c1-9-7-13(18)8-10(2)14(9)11-3-5-12(6-4-11)15(16)17/h3-8,15,18H,1-2H3
InChIKeyMVJUIVOWIWLCFB-UHFFFAOYSA-N
MW248.27 g/mol
LogP4.61
Rot. Bonds2

About 4-[4-(difluoromethyl)phenyl]-3,5-dimethylphenol

4-[4-(difluoromethyl)phenyl]-3,5-dimethylphenol (PubChem CID 143276306) has the molecular formula C15H14F2O and a molecular weight of 248.27 g/mol. Its IUPAC name is 4-[4-(difluoromethyl)phenyl]-3,5-dimethylphenol.

Molecular Properties

Compound Name4-[4-(difluoromethyl)phenyl]-3,5-dimethylphenol
PubChem CID143276306
Molecular FormulaC15H14F2O
Molecular Weight248.27 g/mol
Exact Mass248.10
IUPAC Name4-[4-(difluoromethyl)phenyl]-3,5-dimethylphenol
SMILESCc1cc(O)cc(C)c1-c1ccc(C(F)F)cc1
InChIInChI=1S/C15H14F2O/c1-9-7-13(18)8-10(2)14(9)11-3-5-12(6-4-11)15(16)17/h3-8,15,18H,1-2H3
InChIKeyMVJUIVOWIWLCFB-UHFFFAOYSA-N
XLogP4.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethyl)phenyl]-3,5-dimethylphenol?
The IUPAC name of 4-[4-(difluoromethyl)phenyl]-3,5-dimethylphenol (CID 143276306) is 4-[4-(difluoromethyl)phenyl]-3,5-dimethylphenol.
What is the SMILES notation for 4-[4-(difluoromethyl)phenyl]-3,5-dimethylphenol?
The canonical SMILES for 4-[4-(difluoromethyl)phenyl]-3,5-dimethylphenol is Cc1cc(O)cc(C)c1-c1ccc(C(F)F)cc1.
What is the InChIKey of 4-[4-(difluoromethyl)phenyl]-3,5-dimethylphenol?
The InChIKey is MVJUIVOWIWLCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2O/c1-9-7-13(18)8-10(2)14(9)11-3-5-12(6-4-11)15(16)17/h3-8,15,18H,1-2H3.
What are the key properties of 4-[4-(difluoromethyl)phenyl]-3,5-dimethylphenol?
4-[4-(difluoromethyl)phenyl]-3,5-dimethylphenol has a molecular weight of 248.27 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethyl)phenyl]-3,5-dimethylphenol is sourced from PubChem (CID 143276306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).