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

C17H17F3O — CID 105092775

IUPAC3-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-ol
SMILESCc1cccc(CCC(O)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H17F3O/c1-12-4-2-5-13(10-12)8-9-16(21)14-6-3-7-15(11-14)17(18,19)20/h2-7,10-11,16,21H,8-9H2,1H3
InChIKeyKXIJMEWTXIYETO-UHFFFAOYSA-N
MW294.32 g/mol
LogP4.68
Rot. Bonds4

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

3-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 105092775) has the molecular formula C17H17F3O and a molecular weight of 294.32 g/mol. Its IUPAC name is 3-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID105092775
Molecular FormulaC17H17F3O
Molecular Weight294.32 g/mol
Exact Mass294.12
IUPAC Name3-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-ol
SMILESCc1cccc(CCC(O)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H17F3O/c1-12-4-2-5-13(10-12)8-9-16(21)14-6-3-7-15(11-14)17(18,19)20/h2-7,10-11,16,21H,8-9H2,1H3
InChIKeyKXIJMEWTXIYETO-UHFFFAOYSA-N
XLogP4.68
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 ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-bis(3-methylphenyl)propan-1-ol
CID 105077889
1-(3,4-difluorophenyl)-3-(3-methylphenyl)propan-1-ol
CID 105096422
2-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanol
CID 62791843
3-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 105141503
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-ol
CID 63890426
1-[3-(trifluoromethyl)phenyl]hexan-3-ol
CID 55134975
2-amino-1-[3-(trifluoromethyl)phenyl]ethanol
CID 30514
1-(3-methyl-1,2-oxazol-4-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 141295985
2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60981029
2-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 79422492
3-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-one
CID 24725694
(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methanol
CID 60799413

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 3-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-ol (CID 105092775) is 3-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 3-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-ol is Cc1cccc(CCC(O)c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is KXIJMEWTXIYETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3O/c1-12-4-2-5-13(10-12)8-9-16(21)14-6-3-7-15(11-14)17(18,19)20/h2-7,10-11,16,21H,8-9H2,1H3.
What are the key properties of 3-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-ol?
3-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 294.32 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 105092775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).