[5-methyl-2-(trifluoromethoxy)phenyl]methanol

C9H9F3O2 — CID 67765469

IUPAC[5-methyl-2-(trifluoromethoxy)phenyl]methanol
SMILESCc1ccc(OC(F)(F)F)c(CO)c1
InChIInChI=1S/C9H9F3O2/c1-6-2-3-8(7(4-6)5-13)14-9(10,11)12/h2-4,13H,5H2,1H3
InChIKeyNRDALTWSSLVMLU-UHFFFAOYSA-N
MW206.16 g/mol
LogP2.39
Rot. Bonds2

About [5-methyl-2-(trifluoromethoxy)phenyl]methanol

[5-methyl-2-(trifluoromethoxy)phenyl]methanol (PubChem CID 67765469) has the molecular formula C9H9F3O2 and a molecular weight of 206.16 g/mol. Its IUPAC name is [5-methyl-2-(trifluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name[5-methyl-2-(trifluoromethoxy)phenyl]methanol
PubChem CID67765469
Molecular FormulaC9H9F3O2
Molecular Weight206.16 g/mol
Exact Mass206.06
IUPAC Name[5-methyl-2-(trifluoromethoxy)phenyl]methanol
SMILESCc1ccc(OC(F)(F)F)c(CO)c1
InChIInChI=1S/C9H9F3O2/c1-6-2-3-8(7(4-6)5-13)14-9(10,11)12/h2-4,13H,5H2,1H3
InChIKeyNRDALTWSSLVMLU-UHFFFAOYSA-N
XLogP2.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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methyl 2-[4-methyl-2-(trifluoromethoxy)phenyl]acetate
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[2-(2-fluorophenoxy)-5-methylphenyl]methanol
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(2-cyclobutyloxy-5-methylphenyl)methanol
CID 84664151
[5-methyl-2-(2-methylprop-2-enoxy)phenyl]methanol
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[4-(4-methylthiophen-2-yl)-2-(trifluoromethoxy)phenyl]methanol
CID 172650096
4-methyl-2-methylsulfinyl-1-(trifluoromethoxy)benzene
CID 142140660
[4-amino-2-(trifluoromethoxy)phenyl]methanol
CID 118822833
[5-(2-fluoro-5-methylphenyl)-2-(trifluoromethoxy)phenyl]methanamine
CID 172649980
[2-[(2,5-dimethylphenyl)methoxy]-5-fluorophenyl]methanol
CID 107698577
methyl 20-[3-(hydroxymethyl)-4-(trifluoromethoxy)phenyl]icosanoate
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[5-methyl-2-(2-methylbutoxy)phenyl]methanol
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Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(trifluoromethoxy)phenyl]methanol?
The IUPAC name of [5-methyl-2-(trifluoromethoxy)phenyl]methanol (CID 67765469) is [5-methyl-2-(trifluoromethoxy)phenyl]methanol.
What is the SMILES notation for [5-methyl-2-(trifluoromethoxy)phenyl]methanol?
The canonical SMILES for [5-methyl-2-(trifluoromethoxy)phenyl]methanol is Cc1ccc(OC(F)(F)F)c(CO)c1.
What is the InChIKey of [5-methyl-2-(trifluoromethoxy)phenyl]methanol?
The InChIKey is NRDALTWSSLVMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O2/c1-6-2-3-8(7(4-6)5-13)14-9(10,11)12/h2-4,13H,5H2,1H3.
What are the key properties of [5-methyl-2-(trifluoromethoxy)phenyl]methanol?
[5-methyl-2-(trifluoromethoxy)phenyl]methanol has a molecular weight of 206.16 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(trifluoromethoxy)phenyl]methanol is sourced from PubChem (CID 67765469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).