2-methyl-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol

C9H9F3O2 — CID 70690876

IUPAC2-methyl-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol
SMILESCc1cc(C(O)C(F)(F)F)ccc1O
InChIInChI=1S/C9H9F3O2/c1-5-4-6(2-3-7(5)13)8(14)9(10,11)12/h2-4,8,13-14H,1H3
InChIKeyAUBQXVRHSNMOLV-UHFFFAOYSA-N
MW206.16 g/mol
LogP2.30
Rot. Bonds1

About 2-methyl-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol

2-methyl-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol (PubChem CID 70690876) has the molecular formula C9H9F3O2 and a molecular weight of 206.16 g/mol. Its IUPAC name is 2-methyl-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol.

Molecular Properties

Compound Name2-methyl-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol
PubChem CID70690876
Molecular FormulaC9H9F3O2
Molecular Weight206.16 g/mol
Exact Mass206.06
IUPAC Name2-methyl-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol
SMILESCc1cc(C(O)C(F)(F)F)ccc1O
InChIInChI=1S/C9H9F3O2/c1-5-4-6(2-3-7(5)13)8(14)9(10,11)12/h2-4,8,13-14H,1H3
InChIKeyAUBQXVRHSNMOLV-UHFFFAOYSA-N
XLogP2.30
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-Dimethylphenol
CID 7771
Tyrosol
CID 10393
4-Hydroxybenzyl Alcohol
CID 125
2,4,6-Trimethylphenol
CID 10698
2-tert-Butyl-4-methylphenol
CID 17004
Butylated hydroxymethylphenol
CID 6929
2,6-Diethylphenol
CID 70507
(alphaR)-4-Hydroxy-alpha-methylbenzenepropanol
CID 919205
2-tert-Butyl-4-ethylphenol
CID 7309
Benzenemethanol, 4-hydroxy-alpha-methyl-
CID 102803
2,4-Diisopropylphenol
CID 18048
2-Allyl-6-methylphenol
CID 76883

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol?
The IUPAC name of 2-methyl-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol (CID 70690876) is 2-methyl-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol.
What is the SMILES notation for 2-methyl-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol?
The canonical SMILES for 2-methyl-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol is Cc1cc(C(O)C(F)(F)F)ccc1O.
What is the InChIKey of 2-methyl-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol?
The InChIKey is AUBQXVRHSNMOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O2/c1-5-4-6(2-3-7(5)13)8(14)9(10,11)12/h2-4,8,13-14H,1H3.
What are the key properties of 2-methyl-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol?
2-methyl-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol has a molecular weight of 206.16 g/mol, XLogP of 2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol is sourced from PubChem (CID 70690876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).