anthracene;cyclohexa-2,5-diene-1,4-dione

C20H14O2 — CID 118268436

IUPACanthracene;cyclohexa-2,5-diene-1,4-dione
SMILESO=C1C=CC(=O)C=C1.c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H10.C6H4O2/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;7-5-1-2-6(8)4-3-5/h1-10H;1-4H
InChIKeyZSBPNVMRYGMTAX-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.24
Rot. Bonds

About anthracene;cyclohexa-2,5-diene-1,4-dione

anthracene;cyclohexa-2,5-diene-1,4-dione (PubChem CID 118268436) has the molecular formula C20H14O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is anthracene;cyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Nameanthracene;cyclohexa-2,5-diene-1,4-dione
PubChem CID118268436
Molecular FormulaC20H14O2
Molecular Weight286.33 g/mol
Exact Mass286.10
IUPAC Nameanthracene;cyclohexa-2,5-diene-1,4-dione
SMILESO=C1C=CC(=O)C=C1.c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H10.C6H4O2/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;7-5-1-2-6(8)4-3-5/h1-10H;1-4H
InChIKeyZSBPNVMRYGMTAX-UHFFFAOYSA-N
XLogP4.24
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of anthracene;cyclohexa-2,5-diene-1,4-dione?
The IUPAC name of anthracene;cyclohexa-2,5-diene-1,4-dione (CID 118268436) is anthracene;cyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for anthracene;cyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for anthracene;cyclohexa-2,5-diene-1,4-dione is O=C1C=CC(=O)C=C1.c1ccc2cc3ccccc3cc2c1.
What is the InChIKey of anthracene;cyclohexa-2,5-diene-1,4-dione?
The InChIKey is ZSBPNVMRYGMTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10.C6H4O2/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;7-5-1-2-6(8)4-3-5/h1-10H;1-4H.
What are the key properties of anthracene;cyclohexa-2,5-diene-1,4-dione?
anthracene;cyclohexa-2,5-diene-1,4-dione has a molecular weight of 286.33 g/mol, XLogP of 4.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;cyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 118268436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).