[2-(3-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methanol

C17H17F3O — CID 66837706

IUPAC[2-(3-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methanol
SMILESCC(C)c1cccc(-c2ccc(C(F)(F)F)cc2CO)c1
InChIInChI=1S/C17H17F3O/c1-11(2)12-4-3-5-13(8-12)16-7-6-15(17(18,19)20)9-14(16)10-21/h3-9,11,21H,10H2,1-2H3
InChIKeyGXJLANHEDDZTSY-UHFFFAOYSA-N
MW294.32 g/mol
LogP4.99
Rot. Bonds3

About [2-(3-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methanol

[2-(3-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methanol (PubChem CID 66837706) has the molecular formula C17H17F3O and a molecular weight of 294.32 g/mol. Its IUPAC name is [2-(3-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[2-(3-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methanol
PubChem CID66837706
Molecular FormulaC17H17F3O
Molecular Weight294.32 g/mol
Exact Mass294.12
IUPAC Name[2-(3-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methanol
SMILESCC(C)c1cccc(-c2ccc(C(F)(F)F)cc2CO)c1
InChIInChI=1S/C17H17F3O/c1-11(2)12-4-3-5-13(8-12)16-7-6-15(17(18,19)20)9-14(16)10-21/h3-9,11,21H,10H2,1-2H3
InChIKeyGXJLANHEDDZTSY-UHFFFAOYSA-N
XLogP4.99
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 ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-(3-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [2-(3-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methanol (CID 66837706) is [2-(3-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [2-(3-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [2-(3-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methanol is CC(C)c1cccc(-c2ccc(C(F)(F)F)cc2CO)c1.
What is the InChIKey of [2-(3-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methanol?
The InChIKey is GXJLANHEDDZTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3O/c1-11(2)12-4-3-5-13(8-12)16-7-6-15(17(18,19)20)9-14(16)10-21/h3-9,11,21H,10H2,1-2H3.
What are the key properties of [2-(3-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methanol?
[2-(3-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methanol has a molecular weight of 294.32 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 66837706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).