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

C18H16O6 — CID 162301251

IUPACbenzene-1,4-diol;cyclohexa-2,5-diene-1,4-dione;4-hydroxycyclohexa-2,4-dien-1-one
SMILESO=C1C=CC(=O)C=C1.O=C1C=CC(O)=CC1.Oc1ccc(O)cc1
InChIInChI=1S/2C6H6O2.C6H4O2/c3*7-5-1-2-6(8)4-3-5/h1-3,7H,4H2;1-4,7-8H;1-4H
InChIKeyQKGXUQBADKQJAS-UHFFFAOYSA-N
MW328.32 g/mol
LogP2.31
Rot. Bonds

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

benzene-1,4-diol;cyclohexa-2,5-diene-1,4-dione;4-hydroxycyclohexa-2,4-dien-1-one (PubChem CID 162301251) has the molecular formula C18H16O6 and a molecular weight of 328.32 g/mol. Its IUPAC name is benzene-1,4-diol;cyclohexa-2,5-diene-1,4-dione;4-hydroxycyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Namebenzene-1,4-diol;cyclohexa-2,5-diene-1,4-dione;4-hydroxycyclohexa-2,4-dien-1-one
PubChem CID162301251
Molecular FormulaC18H16O6
Molecular Weight328.32 g/mol
Exact Mass328.09
IUPAC Namebenzene-1,4-diol;cyclohexa-2,5-diene-1,4-dione;4-hydroxycyclohexa-2,4-dien-1-one
SMILESO=C1C=CC(=O)C=C1.O=C1C=CC(O)=CC1.Oc1ccc(O)cc1
InChIInChI=1S/2C6H6O2.C6H4O2/c3*7-5-1-2-6(8)4-3-5/h1-3,7H,4H2;1-4,7-8H;1-4H
InChIKeyQKGXUQBADKQJAS-UHFFFAOYSA-N
XLogP2.31
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

benzene-1,4-diol;cyclohexa-2,5-diene-1,4-dione;sulfuric acid
CID 70560755
cyclohexa-2,5-diene-1,4-dione;phenol
CID 67783364
4-methoxycyclohexa-2,4-dien-1-one;4-methoxycyclohexa-2,5-dien-1-one;bis(4-methoxyphenol)
CID 159702184
benzene-1,4-diol;cyclohexa-2,5-diene-1,4-dione;methane;4-methylphenol;molecular oxygen
CID 160621993
sodium 4-[bis(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one
CID 18940246
4-[(2-hydroxyphenyl)methyl]cyclohexa-2,4-dien-1-one
CID 22363391
4-bromocyclohexa-2,4-dien-1-one
CID 58237946
CID 101128276
CID 101128276
4-[4-(4-hydroxyanilino)phenyl]iminocyclohexa-2,5-dien-1-one
CID 70634584
4-(4-oxocyclohexa-1,5-dien-1-yl)sulfanylcyclohexa-2,4-dien-1-one
CID 19012664
(4-hydroxycyclohexa-2,4-dien-1-ylidene)azanium chloride
CID 53429663
4-[(4-hydroxyphenyl)-(4-sulfanylphenyl)methylidene]cyclohexa-2,5-dien-1-one
CID 24846867

Frequently Asked Questions

What is the IUPAC name of benzene-1,4-diol;cyclohexa-2,5-diene-1,4-dione;4-hydroxycyclohexa-2,4-dien-1-one?
The IUPAC name of benzene-1,4-diol;cyclohexa-2,5-diene-1,4-dione;4-hydroxycyclohexa-2,4-dien-1-one (CID 162301251) is benzene-1,4-diol;cyclohexa-2,5-diene-1,4-dione;4-hydroxycyclohexa-2,4-dien-1-one.
What is the SMILES notation for benzene-1,4-diol;cyclohexa-2,5-diene-1,4-dione;4-hydroxycyclohexa-2,4-dien-1-one?
The canonical SMILES for benzene-1,4-diol;cyclohexa-2,5-diene-1,4-dione;4-hydroxycyclohexa-2,4-dien-1-one is O=C1C=CC(=O)C=C1.O=C1C=CC(O)=CC1.Oc1ccc(O)cc1.
What is the InChIKey of benzene-1,4-diol;cyclohexa-2,5-diene-1,4-dione;4-hydroxycyclohexa-2,4-dien-1-one?
The InChIKey is QKGXUQBADKQJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6O2.C6H4O2/c3*7-5-1-2-6(8)4-3-5/h1-3,7H,4H2;1-4,7-8H;1-4H.
What are the key properties of benzene-1,4-diol;cyclohexa-2,5-diene-1,4-dione;4-hydroxycyclohexa-2,4-dien-1-one?
benzene-1,4-diol;cyclohexa-2,5-diene-1,4-dione;4-hydroxycyclohexa-2,4-dien-1-one has a molecular weight of 328.32 g/mol, XLogP of 2.31, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,4-diol;cyclohexa-2,5-diene-1,4-dione;4-hydroxycyclohexa-2,4-dien-1-one is sourced from PubChem (CID 162301251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).