3-methoxy-6-(trifluoromethyl)benzene-1,2-diol

C8H7F3O3 — CID 84675773

IUPAC3-methoxy-6-(trifluoromethyl)benzene-1,2-diol
SMILESCOc1ccc(C(F)(F)F)c(O)c1O
InChIInChI=1S/C8H7F3O3/c1-14-5-3-2-4(8(9,10)11)6(12)7(5)13/h2-3,12-13H,1H3
InChIKeyXOXZENJRSBELPE-UHFFFAOYSA-N
MW208.13 g/mol
LogP2.13
Rot. Bonds1

About 3-methoxy-6-(trifluoromethyl)benzene-1,2-diol

3-methoxy-6-(trifluoromethyl)benzene-1,2-diol (PubChem CID 84675773) has the molecular formula C8H7F3O3 and a molecular weight of 208.13 g/mol. Its IUPAC name is 3-methoxy-6-(trifluoromethyl)benzene-1,2-diol.

Molecular Properties

Compound Name3-methoxy-6-(trifluoromethyl)benzene-1,2-diol
PubChem CID84675773
Molecular FormulaC8H7F3O3
Molecular Weight208.13 g/mol
Exact Mass208.03
IUPAC Name3-methoxy-6-(trifluoromethyl)benzene-1,2-diol
SMILESCOc1ccc(C(F)(F)F)c(O)c1O
InChIInChI=1S/C8H7F3O3/c1-14-5-3-2-4(8(9,10)11)6(12)7(5)13/h2-3,12-13H,1H3
InChIKeyXOXZENJRSBELPE-UHFFFAOYSA-N
XLogP2.13
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.13
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 3-methoxy-6-(trifluoromethyl)benzene-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-aminobutyl)-6-methoxy-3-(trifluoromethyl)phenol
CID 117412088
2-(1-aminocyclopentyl)-6-methoxy-3-(trifluoromethyl)phenol
CID 117439908
2-fluoro-3-(2-hydroxypropan-2-yl)-6-methoxyphenol
CID 117289253
2-(5-amino-1H-pyrazol-4-yl)-6-methoxy-3-(trifluoromethyl)phenol
CID 117435222
2-methoxy-4,5-bis(trifluoromethyl)phenol
CID 118852194
[2-bromo-6-methoxy-3-(trifluoromethyl)phenyl]methanamine
CID 171019511
CID 140844480
CID 140844480
methyl 6-methoxy-2-methyl-3-(trifluoromethyl)benzoate
CID 162581639
4-methoxy-2,3-bis(trifluoromethyl)phenol
CID 22595244
3,6-dimethoxy-2-methylphenol
CID 13158257
4-tert-butyl-2-methoxy-1-(trifluoromethyl)benzene
CID 70832667
4-methoxy-2,6-bis(trifluoromethyl)phenol
CID 134639085

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-(trifluoromethyl)benzene-1,2-diol?
The IUPAC name of 3-methoxy-6-(trifluoromethyl)benzene-1,2-diol (CID 84675773) is 3-methoxy-6-(trifluoromethyl)benzene-1,2-diol.
What is the SMILES notation for 3-methoxy-6-(trifluoromethyl)benzene-1,2-diol?
The canonical SMILES for 3-methoxy-6-(trifluoromethyl)benzene-1,2-diol is COc1ccc(C(F)(F)F)c(O)c1O.
What is the InChIKey of 3-methoxy-6-(trifluoromethyl)benzene-1,2-diol?
The InChIKey is XOXZENJRSBELPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3O3/c1-14-5-3-2-4(8(9,10)11)6(12)7(5)13/h2-3,12-13H,1H3.
What are the key properties of 3-methoxy-6-(trifluoromethyl)benzene-1,2-diol?
3-methoxy-6-(trifluoromethyl)benzene-1,2-diol has a molecular weight of 208.13 g/mol, XLogP of 2.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-(trifluoromethyl)benzene-1,2-diol is sourced from PubChem (CID 84675773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).