8,9-dichloro-6,11-dihydroxytetracene-5,12-dione

C18H8Cl2O4 — CID 19090660

IUPAC8,9-dichloro-6,11-dihydroxytetracene-5,12-dione
SMILESO=C1c2ccccc2C(=O)c2c1c(O)c1cc(Cl)c(Cl)cc1c2O
InChIInChI=1S/C18H8Cl2O4/c19-11-5-9-10(6-12(11)20)18(24)14-13(17(9)23)15(21)7-3-1-2-4-8(7)16(14)22/h1-6,23-24H
InChIKeyKIMSDKWAOVUAET-UHFFFAOYSA-N
MW359.16 g/mol
LogP4.33
Rot. Bonds

About 8,9-dichloro-6,11-dihydroxytetracene-5,12-dione

8,9-dichloro-6,11-dihydroxytetracene-5,12-dione (PubChem CID 19090660) has the molecular formula C18H8Cl2O4 and a molecular weight of 359.16 g/mol. Its IUPAC name is 8,9-dichloro-6,11-dihydroxytetracene-5,12-dione.

Molecular Properties

Compound Name8,9-dichloro-6,11-dihydroxytetracene-5,12-dione
PubChem CID19090660
Molecular FormulaC18H8Cl2O4
Molecular Weight359.16 g/mol
Exact Mass357.98
IUPAC Name8,9-dichloro-6,11-dihydroxytetracene-5,12-dione
SMILESO=C1c2ccccc2C(=O)c2c1c(O)c1cc(Cl)c(Cl)cc1c2O
InChIInChI=1S/C18H8Cl2O4/c19-11-5-9-10(6-12(11)20)18(24)14-13(17(9)23)15(21)7-3-1-2-4-8(7)16(14)22/h1-6,23-24H
InChIKeyKIMSDKWAOVUAET-UHFFFAOYSA-N
XLogP4.33
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.16
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8,9-dichloro-6,11-dihydroxytetracene-5,12-dione?
The IUPAC name of 8,9-dichloro-6,11-dihydroxytetracene-5,12-dione (CID 19090660) is 8,9-dichloro-6,11-dihydroxytetracene-5,12-dione.
What is the SMILES notation for 8,9-dichloro-6,11-dihydroxytetracene-5,12-dione?
The canonical SMILES for 8,9-dichloro-6,11-dihydroxytetracene-5,12-dione is O=C1c2ccccc2C(=O)c2c1c(O)c1cc(Cl)c(Cl)cc1c2O.
What is the InChIKey of 8,9-dichloro-6,11-dihydroxytetracene-5,12-dione?
The InChIKey is KIMSDKWAOVUAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8Cl2O4/c19-11-5-9-10(6-12(11)20)18(24)14-13(17(9)23)15(21)7-3-1-2-4-8(7)16(14)22/h1-6,23-24H.
What are the key properties of 8,9-dichloro-6,11-dihydroxytetracene-5,12-dione?
8,9-dichloro-6,11-dihydroxytetracene-5,12-dione has a molecular weight of 359.16 g/mol, XLogP of 4.33, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dichloro-6,11-dihydroxytetracene-5,12-dione is sourced from PubChem (CID 19090660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).