1-(4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol

C17H17F3O — CID 62607876

IUPAC1-(4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol
SMILESCc1ccc(CC(O)Cc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H17F3O/c1-12-5-7-13(8-6-12)10-16(21)11-14-3-2-4-15(9-14)17(18,19)20/h2-9,16,21H,10-11H2,1H3
InChIKeySNZFVWMSQTWNBB-UHFFFAOYSA-N
MW294.32 g/mol
LogP4.16
Rot. Bonds4

About 1-(4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol

1-(4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 62607876) has the molecular formula C17H17F3O and a molecular weight of 294.32 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID62607876
Molecular FormulaC17H17F3O
Molecular Weight294.32 g/mol
Exact Mass294.12
IUPAC Name1-(4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol
SMILESCc1ccc(CC(O)Cc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H17F3O/c1-12-5-7-13(8-6-12)10-16(21)11-14-3-2-4-15(9-14)17(18,19)20/h2-9,16,21H,10-11H2,1H3
InChIKeySNZFVWMSQTWNBB-UHFFFAOYSA-N
XLogP4.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 58689696
1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzene
CID 122368794
1-[3-(trifluoromethyl)phenyl]heptan-2-ol
CID 65149247
3-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-ol
CID 79617375
1-(3-bromophenyl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 62608406
1-methyl-4-[2-[3-(trifluoromethyl)phenyl]propyl]benzene
CID 91289654
1-[3-(trifluoromethyl)phenyl]octan-2-ol
CID 65149077
1-(5-bromo-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 104800255
4-(2,2,2-trifluoroethoxy)-1-[3-(trifluoromethyl)phenyl]butan-2-ol
CID 103147587
1-(2-bromopropyl)-3-(trifluoromethyl)benzene
CID 14025642
1-(2-iodopropyl)-3-(trifluoromethyl)benzene
CID 135032501
[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium
CID 38988975

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of 1-(4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol (CID 62607876) is 1-(4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for 1-(4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for 1-(4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol is Cc1ccc(CC(O)Cc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is SNZFVWMSQTWNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3O/c1-12-5-7-13(8-6-12)10-16(21)11-14-3-2-4-15(9-14)17(18,19)20/h2-9,16,21H,10-11H2,1H3.
What are the key properties of 1-(4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol?
1-(4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol has a molecular weight of 294.32 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 62607876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).