benzene-1,4-diol;bis(2-methoxycyclohexa-2,5-diene-1,4-dione)

C20H18O8 — CID 139179614

IUPACbenzene-1,4-diol;bis(2-methoxycyclohexa-2,5-diene-1,4-dione)
SMILESCOC1=CC(=O)C=CC1=O.COC1=CC(=O)C=CC1=O.Oc1ccc(O)cc1
InChIInChI=1S/2C7H6O3.C6H6O2/c2*1-10-7-4-5(8)2-3-6(7)9;7-5-1-2-6(8)4-3-5/h2*2-4H,1H3;1-4,7-8H
InChIKeySMUYMBAYAQJZOG-UHFFFAOYSA-N
MW386.36 g/mol
LogP1.55
Rot. Bonds2

About benzene-1,4-diol;bis(2-methoxycyclohexa-2,5-diene-1,4-dione)

benzene-1,4-diol;bis(2-methoxycyclohexa-2,5-diene-1,4-dione) (PubChem CID 139179614) has the molecular formula C20H18O8 and a molecular weight of 386.36 g/mol. Its IUPAC name is benzene-1,4-diol;bis(2-methoxycyclohexa-2,5-diene-1,4-dione).

Molecular Properties

Compound Namebenzene-1,4-diol;bis(2-methoxycyclohexa-2,5-diene-1,4-dione)
PubChem CID139179614
Molecular FormulaC20H18O8
Molecular Weight386.36 g/mol
Exact Mass386.10
IUPAC Namebenzene-1,4-diol;bis(2-methoxycyclohexa-2,5-diene-1,4-dione)
SMILESCOC1=CC(=O)C=CC1=O.COC1=CC(=O)C=CC1=O.Oc1ccc(O)cc1
InChIInChI=1S/2C7H6O3.C6H6O2/c2*1-10-7-4-5(8)2-3-6(7)9;7-5-1-2-6(8)4-3-5/h2*2-4H,1H3;1-4,7-8H
InChIKeySMUYMBAYAQJZOG-UHFFFAOYSA-N
XLogP1.55
TPSA127.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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Frequently Asked Questions

What is the IUPAC name of benzene-1,4-diol;bis(2-methoxycyclohexa-2,5-diene-1,4-dione)?
The IUPAC name of benzene-1,4-diol;bis(2-methoxycyclohexa-2,5-diene-1,4-dione) (CID 139179614) is benzene-1,4-diol;bis(2-methoxycyclohexa-2,5-diene-1,4-dione).
What is the SMILES notation for benzene-1,4-diol;bis(2-methoxycyclohexa-2,5-diene-1,4-dione)?
The canonical SMILES for benzene-1,4-diol;bis(2-methoxycyclohexa-2,5-diene-1,4-dione) is COC1=CC(=O)C=CC1=O.COC1=CC(=O)C=CC1=O.Oc1ccc(O)cc1.
What is the InChIKey of benzene-1,4-diol;bis(2-methoxycyclohexa-2,5-diene-1,4-dione)?
The InChIKey is SMUYMBAYAQJZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H6O3.C6H6O2/c2*1-10-7-4-5(8)2-3-6(7)9;7-5-1-2-6(8)4-3-5/h2*2-4H,1H3;1-4,7-8H.
What are the key properties of benzene-1,4-diol;bis(2-methoxycyclohexa-2,5-diene-1,4-dione)?
benzene-1,4-diol;bis(2-methoxycyclohexa-2,5-diene-1,4-dione) has a molecular weight of 386.36 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,4-diol;bis(2-methoxycyclohexa-2,5-diene-1,4-dione) is sourced from PubChem (CID 139179614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).