3,5-dimethoxy-2-(trifluoromethyl)benzene-1,4-diol

C9H9F3O4 — CID 163283549

IUPAC3,5-dimethoxy-2-(trifluoromethyl)benzene-1,4-diol
SMILESCOc1cc(O)c(C(F)(F)F)c(OC)c1O
InChIInChI=1S/C9H9F3O4/c1-15-5-3-4(13)6(9(10,11)12)8(16-2)7(5)14/h3,13-14H,1-2H3
InChIKeyZGDIWPXNFXGXRZ-UHFFFAOYSA-N
MW238.16 g/mol
LogP2.13
Rot. Bonds2

About 3,5-dimethoxy-2-(trifluoromethyl)benzene-1,4-diol

3,5-dimethoxy-2-(trifluoromethyl)benzene-1,4-diol (PubChem CID 163283549) has the molecular formula C9H9F3O4 and a molecular weight of 238.16 g/mol. Its IUPAC name is 3,5-dimethoxy-2-(trifluoromethyl)benzene-1,4-diol.

Molecular Properties

Compound Name3,5-dimethoxy-2-(trifluoromethyl)benzene-1,4-diol
PubChem CID163283549
Molecular FormulaC9H9F3O4
Molecular Weight238.16 g/mol
Exact Mass238.05
IUPAC Name3,5-dimethoxy-2-(trifluoromethyl)benzene-1,4-diol
SMILESCOc1cc(O)c(C(F)(F)F)c(OC)c1O
InChIInChI=1S/C9H9F3O4/c1-15-5-3-4(13)6(9(10,11)12)8(16-2)7(5)14/h3,13-14H,1-2H3
InChIKeyZGDIWPXNFXGXRZ-UHFFFAOYSA-N
XLogP2.13
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

1,3,5-trimethoxy-2,4-bis(trifluoromethyl)benzene
CID 137442942
2,5-dimethoxy-3-methylbenzene-1,4-diol
CID 118620662
4-methoxy-2,3-bis(trifluoromethyl)phenol
CID 22595244
3,6-dihydroxy-2,4-dimethoxybenzaldehyde
CID 24879948
1,3,5-trimethoxybenzene;1,3,5-trimethoxy-2,4-bis(trifluoromethyl)benzene
CID 158466163
2-fluoro-3-(1-hydroxy-2-methylpropan-2-yl)-4,5-dimethoxyphenol
CID 117362414
2,4-dimethoxynaphthalen-1-ol
CID 12563547
2-methoxy-4,5-bis(trifluoromethyl)phenol
CID 118852194
5-methoxy-2-methyl-4-(trifluoromethyl)phenol
CID 142839437
2,5-dimethoxy-3,4-dimethylphenol
CID 84658444
1-methoxy-2,3,5-trimethyl-4-(trifluoromethyl)benzene
CID 116964846
3,4,5-trimethoxy-2-(2-methylpropyl)phenol
CID 11160802

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-2-(trifluoromethyl)benzene-1,4-diol?
The IUPAC name of 3,5-dimethoxy-2-(trifluoromethyl)benzene-1,4-diol (CID 163283549) is 3,5-dimethoxy-2-(trifluoromethyl)benzene-1,4-diol.
What is the SMILES notation for 3,5-dimethoxy-2-(trifluoromethyl)benzene-1,4-diol?
The canonical SMILES for 3,5-dimethoxy-2-(trifluoromethyl)benzene-1,4-diol is COc1cc(O)c(C(F)(F)F)c(OC)c1O.
What is the InChIKey of 3,5-dimethoxy-2-(trifluoromethyl)benzene-1,4-diol?
The InChIKey is ZGDIWPXNFXGXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O4/c1-15-5-3-4(13)6(9(10,11)12)8(16-2)7(5)14/h3,13-14H,1-2H3.
What are the key properties of 3,5-dimethoxy-2-(trifluoromethyl)benzene-1,4-diol?
3,5-dimethoxy-2-(trifluoromethyl)benzene-1,4-diol has a molecular weight of 238.16 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-2-(trifluoromethyl)benzene-1,4-diol is sourced from PubChem (CID 163283549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).