7H-benzo[c]xanthene-5,6-dione

C17H10O3 — CID 143526903

IUPAC7H-benzo[c]xanthene-5,6-dione
SMILESO=C1C(=O)c2ccccc2C2=C1Cc1ccccc1O2
InChIInChI=1S/C17H10O3/c18-15-11-6-2-3-7-12(11)17-13(16(15)19)9-10-5-1-4-8-14(10)20-17/h1-8H,9H2
InChIKeyRALJCKSCEZTYSF-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.80
Rot. Bonds

About 7H-benzo[c]xanthene-5,6-dione

7H-benzo[c]xanthene-5,6-dione (PubChem CID 143526903) has the molecular formula C17H10O3 and a molecular weight of 262.26 g/mol. Its IUPAC name is 7H-benzo[c]xanthene-5,6-dione.

Molecular Properties

Compound Name7H-benzo[c]xanthene-5,6-dione
PubChem CID143526903
Molecular FormulaC17H10O3
Molecular Weight262.26 g/mol
Exact Mass262.06
IUPAC Name7H-benzo[c]xanthene-5,6-dione
SMILESO=C1C(=O)c2ccccc2C2=C1Cc1ccccc1O2
InChIInChI=1S/C17H10O3/c18-15-11-6-2-3-7-12(11)17-13(16(15)19)9-10-5-1-4-8-14(10)20-17/h1-8H,9H2
InChIKeyRALJCKSCEZTYSF-UHFFFAOYSA-N
XLogP2.80
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7H-benzo[c]xanthene-5,6-dione?
The IUPAC name of 7H-benzo[c]xanthene-5,6-dione (CID 143526903) is 7H-benzo[c]xanthene-5,6-dione.
What is the SMILES notation for 7H-benzo[c]xanthene-5,6-dione?
The canonical SMILES for 7H-benzo[c]xanthene-5,6-dione is O=C1C(=O)c2ccccc2C2=C1Cc1ccccc1O2.
What is the InChIKey of 7H-benzo[c]xanthene-5,6-dione?
The InChIKey is RALJCKSCEZTYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10O3/c18-15-11-6-2-3-7-12(11)17-13(16(15)19)9-10-5-1-4-8-14(10)20-17/h1-8H,9H2.
What are the key properties of 7H-benzo[c]xanthene-5,6-dione?
7H-benzo[c]xanthene-5,6-dione has a molecular weight of 262.26 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-benzo[c]xanthene-5,6-dione is sourced from PubChem (CID 143526903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).