About benzene-1,2,3,5-tetrol
benzene-1,2,3,5-tetrol (PubChem CID 12) has the molecular formula C6H6O4
and a molecular weight of 142.11 g/mol. Its IUPAC name is benzene-1,2,3,5-tetrol.
Molecular Properties
| Compound Name | benzene-1,2,3,5-tetrol |
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| PubChem CID | 12 |
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| Molecular Formula | C6H6O4 |
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| Molecular Weight | 142.11 g/mol |
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| Exact Mass | 142.03 |
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| IUPAC Name | benzene-1,2,3,5-tetrol |
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| SMILES | Oc1cc(O)c(O)c(O)c1 |
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| InChI | InChI=1S/C6H6O4/c7-3-1-4(8)6(10)5(9)2-3/h1-2,7-10H |
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| InChIKey | RDJUHLUBPADHNP-UHFFFAOYSA-N |
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| XLogP | 0.51 |
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| TPSA | 80.92 Ų |
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| H-Bond Donors | 4 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | |
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| Heavy Atoms | 10 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 142.11 |
| LogP ≤ 5 | 0.51 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of benzene-1,2,3,5-tetrol?
The IUPAC name of benzene-1,2,3,5-tetrol (CID 12) is benzene-1,2,3,5-tetrol.
What is the SMILES notation for benzene-1,2,3,5-tetrol?
The canonical SMILES for benzene-1,2,3,5-tetrol is Oc1cc(O)c(O)c(O)c1.
What is the InChIKey of benzene-1,2,3,5-tetrol?
The InChIKey is RDJUHLUBPADHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O4/c7-3-1-4(8)6(10)5(9)2-3/h1-2,7-10H.
What are the key properties of benzene-1,2,3,5-tetrol?
benzene-1,2,3,5-tetrol has a molecular weight of 142.11 g/mol, XLogP of 0.51, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2,3,5-tetrol is sourced from PubChem (CID 12), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).