benzene-1,2-diol;bis(benzene-1,3-diol);benzene-1,2,3-triol

C24H24O9 — CID 160586828

IUPACbenzene-1,2-diol;bis(benzene-1,3-diol);benzene-1,2,3-triol
SMILESOc1cccc(O)c1.Oc1cccc(O)c1.Oc1cccc(O)c1O.Oc1ccccc1O
InChIInChI=1S/C6H6O3.3C6H6O2/c7-4-2-1-3-5(8)6(4)9;2*7-5-2-1-3-6(8)4-5;7-5-3-1-2-4-6(5)8/h1-3,7-9H;3*1-4,7-8H
InChIKeyRCMQWPHSOWQMLI-UHFFFAOYSA-N
MW456.45 g/mol
LogP4.10
Rot. Bonds

About benzene-1,2-diol;bis(benzene-1,3-diol);benzene-1,2,3-triol

benzene-1,2-diol;bis(benzene-1,3-diol);benzene-1,2,3-triol (PubChem CID 160586828) has the molecular formula C24H24O9 and a molecular weight of 456.45 g/mol. Its IUPAC name is benzene-1,2-diol;bis(benzene-1,3-diol);benzene-1,2,3-triol.

Molecular Properties

Compound Namebenzene-1,2-diol;bis(benzene-1,3-diol);benzene-1,2,3-triol
PubChem CID160586828
Molecular FormulaC24H24O9
Molecular Weight456.45 g/mol
Exact Mass456.14
IUPAC Namebenzene-1,2-diol;bis(benzene-1,3-diol);benzene-1,2,3-triol
SMILESOc1cccc(O)c1.Oc1cccc(O)c1.Oc1cccc(O)c1O.Oc1ccccc1O
InChIInChI=1S/C6H6O3.3C6H6O2/c7-4-2-1-3-5(8)6(4)9;2*7-5-2-1-3-6(8)4-5;7-5-3-1-2-4-6(5)8/h1-3,7-9H;3*1-4,7-8H
InChIKeyRCMQWPHSOWQMLI-UHFFFAOYSA-N
XLogP4.10
TPSA182.07 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.45
LogP ≤ 54.10
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

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CID 23218590
bis(benzene-1,3-diol);hydrate
CID 174320343
bis(benzene-1,3-diol);methane
CID 70633400
benzene-1,3-diol;tris(yttrium)
CID 23386139
benzene-1,3-diol;bis(rutherfordium)
CID 140661178
benzene-1,2,3-triol
CID 87074018
magnesium;benzene-1,3-diol;oxygen(2-)
CID 158172570
benzene-1,2,3-triol;bismuthane
CID 174447840
benzene-1,2,3-triol;naphthalene
CID 157155506
bis(benzene-1,3-diol);formaldehyde
CID 174734201
benzene-1,2-diamine;benzene-1,3-diol
CID 67778876
benzene-1,3-diol;formaldehyde;silver
CID 174852688

Frequently Asked Questions

What is the IUPAC name of benzene-1,2-diol;bis(benzene-1,3-diol);benzene-1,2,3-triol?
The IUPAC name of benzene-1,2-diol;bis(benzene-1,3-diol);benzene-1,2,3-triol (CID 160586828) is benzene-1,2-diol;bis(benzene-1,3-diol);benzene-1,2,3-triol.
What is the SMILES notation for benzene-1,2-diol;bis(benzene-1,3-diol);benzene-1,2,3-triol?
The canonical SMILES for benzene-1,2-diol;bis(benzene-1,3-diol);benzene-1,2,3-triol is Oc1cccc(O)c1.Oc1cccc(O)c1.Oc1cccc(O)c1O.Oc1ccccc1O.
What is the InChIKey of benzene-1,2-diol;bis(benzene-1,3-diol);benzene-1,2,3-triol?
The InChIKey is RCMQWPHSOWQMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O3.3C6H6O2/c7-4-2-1-3-5(8)6(4)9;2*7-5-2-1-3-6(8)4-5;7-5-3-1-2-4-6(5)8/h1-3,7-9H;3*1-4,7-8H.
What are the key properties of benzene-1,2-diol;bis(benzene-1,3-diol);benzene-1,2,3-triol?
benzene-1,2-diol;bis(benzene-1,3-diol);benzene-1,2,3-triol has a molecular weight of 456.45 g/mol, XLogP of 4.10, 0 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2-diol;bis(benzene-1,3-diol);benzene-1,2,3-triol is sourced from PubChem (CID 160586828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).