2-(hydroxymethyl)-6-(trifluoromethyl)benzene-1,4-diol

C8H7F3O3 — CID 84675777

IUPAC2-(hydroxymethyl)-6-(trifluoromethyl)benzene-1,4-diol
SMILESOCc1cc(O)cc(C(F)(F)F)c1O
InChIInChI=1S/C8H7F3O3/c9-8(10,11)6-2-5(13)1-4(3-12)7(6)14/h1-2,12-14H,3H2
InChIKeyLCDYMJUPVCINQN-UHFFFAOYSA-N
MW208.13 g/mol
LogP1.61
Rot. Bonds1

About 2-(hydroxymethyl)-6-(trifluoromethyl)benzene-1,4-diol

2-(hydroxymethyl)-6-(trifluoromethyl)benzene-1,4-diol (PubChem CID 84675777) has the molecular formula C8H7F3O3 and a molecular weight of 208.13 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-(trifluoromethyl)benzene-1,4-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-(trifluoromethyl)benzene-1,4-diol
PubChem CID84675777
Molecular FormulaC8H7F3O3
Molecular Weight208.13 g/mol
Exact Mass208.03
IUPAC Name2-(hydroxymethyl)-6-(trifluoromethyl)benzene-1,4-diol
SMILESOCc1cc(O)cc(C(F)(F)F)c1O
InChIInChI=1S/C8H7F3O3/c9-8(10,11)6-2-5(13)1-4(3-12)7(6)14/h1-2,12-14H,3H2
InChIKeyLCDYMJUPVCINQN-UHFFFAOYSA-N
XLogP1.61
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.13
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(hydroxymethyl)-4,5-bis(trifluoromethyl)phenol
CID 119014959
2-(hydroxymethyl)-4,6-bis(trifluoromethyl)phenol
CID 134638836
5-(hydroxymethyl)-2,4-bis(trifluoromethyl)phenol
CID 119015933
2-amino-3-[2,5-dihydroxy-3-(trifluoromethyl)phenyl]propanoic acid
CID 117416529
3-(hydroxymethyl)-6-(trifluoromethyl)benzene-1,2-diol
CID 84675776
4-chloro-2-(2-hydroxyethyl)-6-(trifluoromethyl)phenol
CID 117353847
4-iodo-3,5-bis(trifluoromethyl)phenol
CID 134639186
[2-amino-4,5-bis(trifluoromethyl)phenyl]methanol
CID 119022514
2-(aminomethyl)-4-methyl-6-(trifluoromethyl)phenol
CID 21416993
2-[1-(aminomethyl)cyclopropyl]-6-(trifluoromethyl)benzene-1,4-diol
CID 117369613
[5-chloro-2-(trifluoromethyl)phenyl]methanol
CID 2778112
2-[1-(aminomethyl)cyclobutyl]-6-(trifluoromethyl)benzene-1,4-diol
CID 117406723

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-(trifluoromethyl)benzene-1,4-diol?
The IUPAC name of 2-(hydroxymethyl)-6-(trifluoromethyl)benzene-1,4-diol (CID 84675777) is 2-(hydroxymethyl)-6-(trifluoromethyl)benzene-1,4-diol.
What is the SMILES notation for 2-(hydroxymethyl)-6-(trifluoromethyl)benzene-1,4-diol?
The canonical SMILES for 2-(hydroxymethyl)-6-(trifluoromethyl)benzene-1,4-diol is OCc1cc(O)cc(C(F)(F)F)c1O.
What is the InChIKey of 2-(hydroxymethyl)-6-(trifluoromethyl)benzene-1,4-diol?
The InChIKey is LCDYMJUPVCINQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3O3/c9-8(10,11)6-2-5(13)1-4(3-12)7(6)14/h1-2,12-14H,3H2.
What are the key properties of 2-(hydroxymethyl)-6-(trifluoromethyl)benzene-1,4-diol?
2-(hydroxymethyl)-6-(trifluoromethyl)benzene-1,4-diol has a molecular weight of 208.13 g/mol, XLogP of 1.61, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-(trifluoromethyl)benzene-1,4-diol is sourced from PubChem (CID 84675777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).