2-methyl-4-(trifluoromethyl)phenol;hydrochloride

C8H8ClF3O — CID 172689490

IUPAC2-methyl-4-(trifluoromethyl)phenol;hydrochloride
SMILESCc1cc(C(F)(F)F)ccc1O.Cl
InChIInChI=1S/C8H7F3O.ClH/c1-5-4-6(8(9,10)11)2-3-7(5)12;/h2-4,12H,1H3;1H
InChIKeyBMDYRTAFZAMMTP-UHFFFAOYSA-N
MW212.60 g/mol
LogP3.14
Rot. Bonds

About 2-methyl-4-(trifluoromethyl)phenol;hydrochloride

2-methyl-4-(trifluoromethyl)phenol;hydrochloride (PubChem CID 172689490) has the molecular formula C8H8ClF3O and a molecular weight of 212.60 g/mol. Its IUPAC name is 2-methyl-4-(trifluoromethyl)phenol;hydrochloride.

Molecular Properties

Compound Name2-methyl-4-(trifluoromethyl)phenol;hydrochloride
PubChem CID172689490
Molecular FormulaC8H8ClF3O
Molecular Weight212.60 g/mol
Exact Mass212.02
IUPAC Name2-methyl-4-(trifluoromethyl)phenol;hydrochloride
SMILESCc1cc(C(F)(F)F)ccc1O.Cl
InChIInChI=1S/C8H7F3O.ClH/c1-5-4-6(8(9,10)11)2-3-7(5)12;/h2-4,12H,1H3;1H
InChIKeyBMDYRTAFZAMMTP-UHFFFAOYSA-N
XLogP3.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.60
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-fluoro-3-methylphenyl)-4-(trifluoromethyl)phenol
CID 172879488
carbanide;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;yttrium
CID 169320278
2-chloro-4-(trifluoromethyl)phenol
CID 2736603
2,3-dimethyl-5-(trifluoromethyl)phenol
CID 130769403
2-methyl-4-[[2-methyl-4-[[2-methyl-4-[[2-methyl-4-[[3-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenol
CID 137150175
2-sulfanyl-5-(trifluoromethyl)phenol
CID 130035062
4-[2-[3-tert-butyl-5-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol
CID 144899041
4-[2-[3-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol
CID 23033100
4-[2-(4-hydroxyphenyl)propan-2-yl]-2-methylphenol
CID 14389009
4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol
CID 130296994
4-hydroxy-3-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 103955327
4-[1,1,1,3,3,3-hexafluoro-2-[4-hydroxy-3-(methylamino)phenyl]propan-2-yl]-2-methylphenol
CID 162553181

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(trifluoromethyl)phenol;hydrochloride?
The IUPAC name of 2-methyl-4-(trifluoromethyl)phenol;hydrochloride (CID 172689490) is 2-methyl-4-(trifluoromethyl)phenol;hydrochloride.
What is the SMILES notation for 2-methyl-4-(trifluoromethyl)phenol;hydrochloride?
The canonical SMILES for 2-methyl-4-(trifluoromethyl)phenol;hydrochloride is Cc1cc(C(F)(F)F)ccc1O.Cl.
What is the InChIKey of 2-methyl-4-(trifluoromethyl)phenol;hydrochloride?
The InChIKey is BMDYRTAFZAMMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3O.ClH/c1-5-4-6(8(9,10)11)2-3-7(5)12;/h2-4,12H,1H3;1H.
What are the key properties of 2-methyl-4-(trifluoromethyl)phenol;hydrochloride?
2-methyl-4-(trifluoromethyl)phenol;hydrochloride has a molecular weight of 212.60 g/mol, XLogP of 3.14, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(trifluoromethyl)phenol;hydrochloride is sourced from PubChem (CID 172689490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).