3-tritiooxyphenol

C6H6O2 — CID 118553198

IUPAC3-tritiooxyphenol
SMILES[3H]Oc1cccc(O)c1
InChIInChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H/i/hT
InChIKeyGHMLBKRAJCXXBS-MNYXATJNSA-N
MW112.12 g/mol
LogP1.10
Rot. Bonds1

About 3-tritiooxyphenol

3-tritiooxyphenol (PubChem CID 118553198) has the molecular formula C6H6O2 and a molecular weight of 112.12 g/mol. Its IUPAC name is 3-tritiooxyphenol.

Molecular Properties

Compound Name3-tritiooxyphenol
PubChem CID118553198
Molecular FormulaC6H6O2
Molecular Weight112.12 g/mol
Exact Mass112.05
IUPAC Name3-tritiooxyphenol
SMILES[3H]Oc1cccc(O)c1
InChIInChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H/i/hT
InChIKeyGHMLBKRAJCXXBS-MNYXATJNSA-N
XLogP1.10
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.12
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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benzene-1,3-diol;bis(rutherfordium)
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magnesium;benzene-1,3-diol;oxygen(2-)
CID 158172570
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bis(benzene-1,3-diol);formaldehyde
CID 174734201
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CID 174852688
benzene-1,3-diol;phosphoric acid
CID 66603395
benzene-1,3-diol;phosphoric acid
CID 87069465
benzene-1,2-diol;bis(benzene-1,3-diol);benzene-1,2,3-triol
CID 160586828
benzene-1,2-diamine;benzene-1,3-diol
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Frequently Asked Questions

What is the IUPAC name of 3-tritiooxyphenol?
The IUPAC name of 3-tritiooxyphenol (CID 118553198) is 3-tritiooxyphenol.
What is the SMILES notation for 3-tritiooxyphenol?
The canonical SMILES for 3-tritiooxyphenol is [3H]Oc1cccc(O)c1.
What is the InChIKey of 3-tritiooxyphenol?
The InChIKey is GHMLBKRAJCXXBS-MNYXATJNSA-N. The full InChI is InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H/i/hT.
What are the key properties of 3-tritiooxyphenol?
3-tritiooxyphenol has a molecular weight of 112.12 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tritiooxyphenol is sourced from PubChem (CID 118553198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).