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

C17H17F3O — CID 67341849

IUPAC(2S)-2-[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)ccc1[C@H](C)CO
InChIInChI=1S/C17H17F3O/c1-11-9-14(5-8-16(11)12(2)10-21)13-3-6-15(7-4-13)17(18,19)20/h3-9,12,21H,10H2,1-2H3/t12-/m1/s1
InChIKeyMVPJSYLFHDDQNM-GFCCVEGCSA-N
MW294.32 g/mol
LogP4.78
Rot. Bonds3

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

(2S)-2-[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol (PubChem CID 67341849) has the molecular formula C17H17F3O and a molecular weight of 294.32 g/mol. Its IUPAC name is (2S)-2-[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol
PubChem CID67341849
Molecular FormulaC17H17F3O
Molecular Weight294.32 g/mol
Exact Mass294.12
IUPAC Name(2S)-2-[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)ccc1[C@H](C)CO
InChIInChI=1S/C17H17F3O/c1-11-9-14(5-8-16(11)12(2)10-21)13-3-6-15(7-4-13)17(18,19)20/h3-9,12,21H,10H2,1-2H3/t12-/m1/s1
InChIKeyMVPJSYLFHDDQNM-GFCCVEGCSA-N
XLogP4.78
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 ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S)-2-[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol?
The IUPAC name of (2S)-2-[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol (CID 67341849) is (2S)-2-[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol.
What is the SMILES notation for (2S)-2-[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol?
The canonical SMILES for (2S)-2-[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol is Cc1cc(-c2ccc(C(F)(F)F)cc2)ccc1[C@H](C)CO.
What is the InChIKey of (2S)-2-[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol?
The InChIKey is MVPJSYLFHDDQNM-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17F3O/c1-11-9-14(5-8-16(11)12(2)10-21)13-3-6-15(7-4-13)17(18,19)20/h3-9,12,21H,10H2,1-2H3/t12-/m1/s1.
What are the key properties of (2S)-2-[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol?
(2S)-2-[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol has a molecular weight of 294.32 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol is sourced from PubChem (CID 67341849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).