2-[2-methyl-4-(trifluoromethyl)phenyl]-1-phenylpropan-2-ol

C17H17F3O — CID 102751228

IUPAC2-[2-methyl-4-(trifluoromethyl)phenyl]-1-phenylpropan-2-ol
SMILESCc1cc(C(F)(F)F)ccc1C(C)(O)Cc1ccccc1
InChIInChI=1S/C17H17F3O/c1-12-10-14(17(18,19)20)8-9-15(12)16(2,21)11-13-6-4-3-5-7-13/h3-10,21H,11H2,1-2H3
InChIKeyRRWUSUKLNFXTCU-UHFFFAOYSA-N
MW294.32 g/mol
LogP4.46
Rot. Bonds3

About 2-[2-methyl-4-(trifluoromethyl)phenyl]-1-phenylpropan-2-ol

2-[2-methyl-4-(trifluoromethyl)phenyl]-1-phenylpropan-2-ol (PubChem CID 102751228) has the molecular formula C17H17F3O and a molecular weight of 294.32 g/mol. Its IUPAC name is 2-[2-methyl-4-(trifluoromethyl)phenyl]-1-phenylpropan-2-ol.

Molecular Properties

Compound Name2-[2-methyl-4-(trifluoromethyl)phenyl]-1-phenylpropan-2-ol
PubChem CID102751228
Molecular FormulaC17H17F3O
Molecular Weight294.32 g/mol
Exact Mass294.12
IUPAC Name2-[2-methyl-4-(trifluoromethyl)phenyl]-1-phenylpropan-2-ol
SMILESCc1cc(C(F)(F)F)ccc1C(C)(O)Cc1ccccc1
InChIInChI=1S/C17H17F3O/c1-12-10-14(17(18,19)20)8-9-15(12)16(2,21)11-13-6-4-3-5-7-13/h3-10,21H,11H2,1-2H3
InChIKeyRRWUSUKLNFXTCU-UHFFFAOYSA-N
XLogP4.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 146163800
2-(2-bromophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 65145345
2-(2-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 65145336
1-(3,5-difluorophenyl)-2-(2-methylphenyl)propan-2-ol
CID 105402437
2-(4-bromophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 65145339
2-[2-methyl-4-(trifluoromethyl)phenyl]-1-piperidin-2-ylpropan-2-ol
CID 102751951
2-methyl-1-(2-phenylethyl)-4-(trifluoromethyl)benzene
CID 91426393
1-(2,4-dimethylphenyl)-2-phenylethane-1,1-diol
CID 175050709
1-(2-methoxyethylamino)-2-[2-methyl-4-(trifluoromethyl)phenyl]propan-2-ol
CID 102756270
2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 173297949
2-(2-chlorophenyl)-1-phenylpropan-2-ol
CID 43810130
1-(4-methoxyphenyl)-2-(2-methylphenyl)propan-2-ol
CID 55169667

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(trifluoromethyl)phenyl]-1-phenylpropan-2-ol?
The IUPAC name of 2-[2-methyl-4-(trifluoromethyl)phenyl]-1-phenylpropan-2-ol (CID 102751228) is 2-[2-methyl-4-(trifluoromethyl)phenyl]-1-phenylpropan-2-ol.
What is the SMILES notation for 2-[2-methyl-4-(trifluoromethyl)phenyl]-1-phenylpropan-2-ol?
The canonical SMILES for 2-[2-methyl-4-(trifluoromethyl)phenyl]-1-phenylpropan-2-ol is Cc1cc(C(F)(F)F)ccc1C(C)(O)Cc1ccccc1.
What is the InChIKey of 2-[2-methyl-4-(trifluoromethyl)phenyl]-1-phenylpropan-2-ol?
The InChIKey is RRWUSUKLNFXTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3O/c1-12-10-14(17(18,19)20)8-9-15(12)16(2,21)11-13-6-4-3-5-7-13/h3-10,21H,11H2,1-2H3.
What are the key properties of 2-[2-methyl-4-(trifluoromethyl)phenyl]-1-phenylpropan-2-ol?
2-[2-methyl-4-(trifluoromethyl)phenyl]-1-phenylpropan-2-ol has a molecular weight of 294.32 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(trifluoromethyl)phenyl]-1-phenylpropan-2-ol is sourced from PubChem (CID 102751228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).