actinium;2,3,5-trimethylbenzene-1,4-diol

C9H12Ac2O2 — CID 22949987

IUPACactinium;2,3,5-trimethylbenzene-1,4-diol
SMILESCc1cc(O)c(C)c(C)c1O.[Ac].[Ac]
InChIInChI=1S/C9H12O2.2Ac/c1-5-4-8(10)6(2)7(3)9(5)11;;/h4,10-11H,1-3H3;;
InChIKeyLJKBPLMLBHVEPK-UHFFFAOYSA-N
MW606.19 g/mol
LogP2.02
Rot. Bonds

About actinium;2,3,5-trimethylbenzene-1,4-diol

actinium;2,3,5-trimethylbenzene-1,4-diol (PubChem CID 22949987) has the molecular formula C9H12Ac2O2 and a molecular weight of 606.19 g/mol. Its IUPAC name is actinium;2,3,5-trimethylbenzene-1,4-diol.

Molecular Properties

Compound Nameactinium;2,3,5-trimethylbenzene-1,4-diol
PubChem CID22949987
Molecular FormulaC9H12Ac2O2
Molecular Weight606.19 g/mol
Exact Mass606.14
IUPAC Nameactinium;2,3,5-trimethylbenzene-1,4-diol
SMILESCc1cc(O)c(C)c(C)c1O.[Ac].[Ac]
InChIInChI=1S/C9H12O2.2Ac/c1-5-4-8(10)6(2)7(3)9(5)11;;/h4,10-11H,1-3H3;;
InChIKeyLJKBPLMLBHVEPK-UHFFFAOYSA-N
XLogP2.02
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500606.19
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3,5-trimethylbenzene-1,4-diol
CID 87406815
carbonic acid;2,3,5-trimethylbenzene-1,4-diol
CID 174747915
2-(oxiran-2-ylmethoxymethyl)oxirane;2,3,5-trimethylbenzene-1,4-diol
CID 22457219
5-(hydroxymethyl)-2,3-dimethylbenzene-1,4-diol
CID 87355604
2-(3,6-dihydroxy-2,4-dimethylphenyl)sulfanyl-3,5-dimethylbenzene-1,4-diol
CID 21480883
2-(hydroxymethyl)-3,5-dimethylbenzene-1,4-diol
CID 59638979
3-tert-butyl-2,5-dimethylbenzene-1,4-diol
CID 58864787
4-bromo-2,3,5-trimethylphenol
CID 3629334
2-methoxy-3,5-dimethylbenzene-1,4-diol;2-methoxy-3,5,6-trimethylbenzene-1,4-diol
CID 19817256
3,5-dimethylbenzene-1,2-diol;3,4,5-trimethylbenzene-1,2-diol
CID 22492701
1-(3,6-dihydroxy-2,4-dimethylphenyl)ethanone
CID 12523113
5-ethyl-2,3-dimethylbenzene-1,4-diol
CID 86605484

Frequently Asked Questions

What is the IUPAC name of actinium;2,3,5-trimethylbenzene-1,4-diol?
The IUPAC name of actinium;2,3,5-trimethylbenzene-1,4-diol (CID 22949987) is actinium;2,3,5-trimethylbenzene-1,4-diol.
What is the SMILES notation for actinium;2,3,5-trimethylbenzene-1,4-diol?
The canonical SMILES for actinium;2,3,5-trimethylbenzene-1,4-diol is Cc1cc(O)c(C)c(C)c1O.[Ac].[Ac].
What is the InChIKey of actinium;2,3,5-trimethylbenzene-1,4-diol?
The InChIKey is LJKBPLMLBHVEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2.2Ac/c1-5-4-8(10)6(2)7(3)9(5)11;;/h4,10-11H,1-3H3;;.
What are the key properties of actinium;2,3,5-trimethylbenzene-1,4-diol?
actinium;2,3,5-trimethylbenzene-1,4-diol has a molecular weight of 606.19 g/mol, XLogP of 2.02, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;2,3,5-trimethylbenzene-1,4-diol is sourced from PubChem (CID 22949987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).