5-(trideuteriomethyl)benzene-1,3-diol

C7H8O2 — CID 167362662

IUPAC5-(trideuteriomethyl)benzene-1,3-diol
SMILES[2H]C([2H])([2H])c1cc(O)cc(O)c1
InChIInChI=1S/C7H8O2/c1-5-2-6(8)4-7(9)3-5/h2-4,8-9H,1H3/i1D3
InChIKeyOIPPWFOQEKKFEE-FIBGUPNXSA-N
MW127.16 g/mol
LogP1.41
Rot. Bonds1

About 5-(trideuteriomethyl)benzene-1,3-diol

5-(trideuteriomethyl)benzene-1,3-diol (PubChem CID 167362662) has the molecular formula C7H8O2 and a molecular weight of 127.16 g/mol. Its IUPAC name is 5-(trideuteriomethyl)benzene-1,3-diol.

Molecular Properties

Compound Name5-(trideuteriomethyl)benzene-1,3-diol
PubChem CID167362662
Molecular FormulaC7H8O2
Molecular Weight127.16 g/mol
Exact Mass127.07
IUPAC Name5-(trideuteriomethyl)benzene-1,3-diol
SMILES[2H]C([2H])([2H])c1cc(O)cc(O)c1
InChIInChI=1S/C7H8O2/c1-5-2-6(8)4-7(9)3-5/h2-4,8-9H,1H3/i1D3
InChIKeyOIPPWFOQEKKFEE-FIBGUPNXSA-N
XLogP1.41
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(trideuteriomethyl)benzene-1,3-diol?
The IUPAC name of 5-(trideuteriomethyl)benzene-1,3-diol (CID 167362662) is 5-(trideuteriomethyl)benzene-1,3-diol.
What is the SMILES notation for 5-(trideuteriomethyl)benzene-1,3-diol?
The canonical SMILES for 5-(trideuteriomethyl)benzene-1,3-diol is [2H]C([2H])([2H])c1cc(O)cc(O)c1.
What is the InChIKey of 5-(trideuteriomethyl)benzene-1,3-diol?
The InChIKey is OIPPWFOQEKKFEE-FIBGUPNXSA-N. The full InChI is InChI=1S/C7H8O2/c1-5-2-6(8)4-7(9)3-5/h2-4,8-9H,1H3/i1D3.
What are the key properties of 5-(trideuteriomethyl)benzene-1,3-diol?
5-(trideuteriomethyl)benzene-1,3-diol has a molecular weight of 127.16 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trideuteriomethyl)benzene-1,3-diol is sourced from PubChem (CID 167362662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).