[4-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]methanol

C16H12F6O — CID 89357054

IUPAC[4-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]methanol
SMILESCc1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1CO
InChIInChI=1S/C16H12F6O/c1-9-4-10(2-3-11(9)8-23)12-5-13(15(17,18)19)7-14(6-12)16(20,21)22/h2-7,23H,8H2,1H3
InChIKeyOSNUEWDTVZKTHU-UHFFFAOYSA-N
MW334.26 g/mol
LogP5.19
Rot. Bonds2

About [4-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]methanol

[4-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]methanol (PubChem CID 89357054) has the molecular formula C16H12F6O and a molecular weight of 334.26 g/mol. Its IUPAC name is [4-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]methanol.

Molecular Properties

Compound Name[4-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]methanol
PubChem CID89357054
Molecular FormulaC16H12F6O
Molecular Weight334.26 g/mol
Exact Mass334.08
IUPAC Name[4-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]methanol
SMILESCc1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1CO
InChIInChI=1S/C16H12F6O/c1-9-4-10(2-3-11(9)8-23)12-5-13(15(17,18)19)7-14(6-12)16(20,21)22/h2-7,23H,8H2,1H3
InChIKeyOSNUEWDTVZKTHU-UHFFFAOYSA-N
XLogP5.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.26
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [4-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]methanol 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 [4-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]methanol?
The IUPAC name of [4-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]methanol (CID 89357054) is [4-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]methanol.
What is the SMILES notation for [4-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]methanol?
The canonical SMILES for [4-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]methanol is Cc1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1CO.
What is the InChIKey of [4-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]methanol?
The InChIKey is OSNUEWDTVZKTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F6O/c1-9-4-10(2-3-11(9)8-23)12-5-13(15(17,18)19)7-14(6-12)16(20,21)22/h2-7,23H,8H2,1H3.
What are the key properties of [4-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]methanol?
[4-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]methanol has a molecular weight of 334.26 g/mol, XLogP of 5.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]methanol is sourced from PubChem (CID 89357054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).