1-(3,4-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanol

C17H17F3O — CID 62801465

IUPAC1-(3,4-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanol
SMILESCc1ccc(C(C)(O)c2ccccc2C(F)(F)F)cc1C
InChIInChI=1S/C17H17F3O/c1-11-8-9-13(10-12(11)2)16(3,21)14-6-4-5-7-15(14)17(18,19)20/h4-10,21H,1-3H3
InChIKeyIMPATCOWYBYORX-UHFFFAOYSA-N
MW294.32 g/mol
LogP4.58
Rot. Bonds2

About 1-(3,4-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanol

1-(3,4-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanol (PubChem CID 62801465) has the molecular formula C17H17F3O and a molecular weight of 294.32 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanol
PubChem CID62801465
Molecular FormulaC17H17F3O
Molecular Weight294.32 g/mol
Exact Mass294.12
IUPAC Name1-(3,4-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanol
SMILESCc1ccc(C(C)(O)c2ccccc2C(F)(F)F)cc1C
InChIInChI=1S/C17H17F3O/c1-11-8-9-13(10-12(11)2)16(3,21)14-6-4-5-7-15(14)17(18,19)20/h4-10,21H,1-3H3
InChIKeyIMPATCOWYBYORX-UHFFFAOYSA-N
XLogP4.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 1-(3,4-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanol (CID 62801465) is 1-(3,4-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 1-(3,4-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanol is Cc1ccc(C(C)(O)c2ccccc2C(F)(F)F)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanol?
The InChIKey is IMPATCOWYBYORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3O/c1-11-8-9-13(10-12(11)2)16(3,21)14-6-4-5-7-15(14)17(18,19)20/h4-10,21H,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanol?
1-(3,4-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanol has a molecular weight of 294.32 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 62801465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).