2,3-dichloro-1,4-dihydroxy-5a,6,11,11a-tetrahydrotetracene-5,12-dione

C18H12Cl2O4 — CID 2752955

IUPAC2,3-dichloro-1,4-dihydroxy-5a,6,11,11a-tetrahydrotetracene-5,12-dione
SMILESO=C1c2c(O)c(Cl)c(Cl)c(O)c2C(=O)C2Cc3ccccc3CC12
InChIInChI=1S/C18H12Cl2O4/c19-13-14(20)18(24)12-11(17(13)23)15(21)9-5-7-3-1-2-4-8(7)6-10(9)16(12)22/h1-4,9-10,23-24H,5-6H2
InChIKeyAWHCYSWQJIHNOH-UHFFFAOYSA-N
MW363.20 g/mol
LogP3.81
Rot. Bonds

About 2,3-dichloro-1,4-dihydroxy-5a,6,11,11a-tetrahydrotetracene-5,12-dione

2,3-dichloro-1,4-dihydroxy-5a,6,11,11a-tetrahydrotetracene-5,12-dione (PubChem CID 2752955) has the molecular formula C18H12Cl2O4 and a molecular weight of 363.20 g/mol. Its IUPAC name is 2,3-dichloro-1,4-dihydroxy-5a,6,11,11a-tetrahydrotetracene-5,12-dione.

Molecular Properties

Compound Name2,3-dichloro-1,4-dihydroxy-5a,6,11,11a-tetrahydrotetracene-5,12-dione
PubChem CID2752955
Molecular FormulaC18H12Cl2O4
Molecular Weight363.20 g/mol
Exact Mass362.01
IUPAC Name2,3-dichloro-1,4-dihydroxy-5a,6,11,11a-tetrahydrotetracene-5,12-dione
SMILESO=C1c2c(O)c(Cl)c(Cl)c(O)c2C(=O)C2Cc3ccccc3CC12
InChIInChI=1S/C18H12Cl2O4/c19-13-14(20)18(24)12-11(17(13)23)15(21)9-5-7-3-1-2-4-8(7)6-10(9)16(12)22/h1-4,9-10,23-24H,5-6H2
InChIKeyAWHCYSWQJIHNOH-UHFFFAOYSA-N
XLogP3.81
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_gamma(5)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-1,4-dihydroxy-5a,6,11,11a-tetrahydrotetracene-5,12-dione?
The IUPAC name of 2,3-dichloro-1,4-dihydroxy-5a,6,11,11a-tetrahydrotetracene-5,12-dione (CID 2752955) is 2,3-dichloro-1,4-dihydroxy-5a,6,11,11a-tetrahydrotetracene-5,12-dione.
What is the SMILES notation for 2,3-dichloro-1,4-dihydroxy-5a,6,11,11a-tetrahydrotetracene-5,12-dione?
The canonical SMILES for 2,3-dichloro-1,4-dihydroxy-5a,6,11,11a-tetrahydrotetracene-5,12-dione is O=C1c2c(O)c(Cl)c(Cl)c(O)c2C(=O)C2Cc3ccccc3CC12.
What is the InChIKey of 2,3-dichloro-1,4-dihydroxy-5a,6,11,11a-tetrahydrotetracene-5,12-dione?
The InChIKey is AWHCYSWQJIHNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2O4/c19-13-14(20)18(24)12-11(17(13)23)15(21)9-5-7-3-1-2-4-8(7)6-10(9)16(12)22/h1-4,9-10,23-24H,5-6H2.
What are the key properties of 2,3-dichloro-1,4-dihydroxy-5a,6,11,11a-tetrahydrotetracene-5,12-dione?
2,3-dichloro-1,4-dihydroxy-5a,6,11,11a-tetrahydrotetracene-5,12-dione has a molecular weight of 363.20 g/mol, XLogP of 3.81, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-1,4-dihydroxy-5a,6,11,11a-tetrahydrotetracene-5,12-dione is sourced from PubChem (CID 2752955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).