benzene-1,4-diol;cyclohexa-2,5-diene-1,4-dione

C12H10O4 — CID 7801

IUPACbenzene-1,4-diol;cyclohexa-2,5-diene-1,4-dione
SMILESO=C1C=CC(=O)C=C1.Oc1ccc(O)cc1
InChIInChI=1S/C6H6O2.C6H4O2/c2*7-5-1-2-6(8)4-3-5/h1-4,7-8H;1-4H
InChIKeyBDJXVNRFAQSMAA-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.35
Rot. Bonds

About benzene-1,4-diol;cyclohexa-2,5-diene-1,4-dione

benzene-1,4-diol;cyclohexa-2,5-diene-1,4-dione (PubChem CID 7801) has the molecular formula C12H10O4 and a molecular weight of 218.21 g/mol. Its IUPAC name is benzene-1,4-diol;cyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Namebenzene-1,4-diol;cyclohexa-2,5-diene-1,4-dione
PubChem CID7801
Molecular FormulaC12H10O4
Molecular Weight218.21 g/mol
Exact Mass218.06
IUPAC Namebenzene-1,4-diol;cyclohexa-2,5-diene-1,4-dione
SMILESO=C1C=CC(=O)C=C1.Oc1ccc(O)cc1
InChIInChI=1S/C6H6O2.C6H4O2/c2*7-5-1-2-6(8)4-3-5/h1-4,7-8H;1-4H
InChIKeyBDJXVNRFAQSMAA-UHFFFAOYSA-N
XLogP1.35
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

Hydroquinone
CID 785
(~2~H_4_)Benzene-1,4-diol
CID 12205426
Hydroquinone-d6
CID 11389380
Phenol Acetone
CID 54464289
Mercury, (4-hydroxy-m-phenylene)bis(acetato-
CID 16684625
Phenol, sodium salt, hydrate (1:1:3)
CID 69592238
Formaldehyde-hydroquinone polymer
CID 3082254
(E)-but-2-enedioic acid;formaldehyde;phenol
CID 6455763
Quinol sulfate(1-)
CID 14767563
Phenolated Water
CID 18417210
p-Benzosemiquinone
CID 46173720
Phenol--water (1/2)
CID 71346483

Frequently Asked Questions

What is the IUPAC name of benzene-1,4-diol;cyclohexa-2,5-diene-1,4-dione?
The IUPAC name of benzene-1,4-diol;cyclohexa-2,5-diene-1,4-dione (CID 7801) is benzene-1,4-diol;cyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for benzene-1,4-diol;cyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for benzene-1,4-diol;cyclohexa-2,5-diene-1,4-dione is O=C1C=CC(=O)C=C1.Oc1ccc(O)cc1.
What is the InChIKey of benzene-1,4-diol;cyclohexa-2,5-diene-1,4-dione?
The InChIKey is BDJXVNRFAQSMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2.C6H4O2/c2*7-5-1-2-6(8)4-3-5/h1-4,7-8H;1-4H.
What are the key properties of benzene-1,4-diol;cyclohexa-2,5-diene-1,4-dione?
benzene-1,4-diol;cyclohexa-2,5-diene-1,4-dione has a molecular weight of 218.21 g/mol, XLogP of 1.35, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,4-diol;cyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 7801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).