(9,10-dioxoanthracen-2-yl) acetate

C16H10O4 — CID 13182760

IUPAC(9,10-dioxoanthracen-2-yl) acetate
SMILESCC(=O)Oc1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H10O4/c1-9(17)20-10-6-7-13-14(8-10)16(19)12-5-3-2-4-11(12)15(13)18/h2-8H,1H3
InChIKeyFGKGRDOTGFSFDX-UHFFFAOYSA-N
MW266.25 g/mol
LogP2.39
Rot. Bonds1

About (9,10-dioxoanthracen-2-yl) acetate

(9,10-dioxoanthracen-2-yl) acetate (PubChem CID 13182760) has the molecular formula C16H10O4 and a molecular weight of 266.25 g/mol. Its IUPAC name is (9,10-dioxoanthracen-2-yl) acetate.

Molecular Properties

Compound Name(9,10-dioxoanthracen-2-yl) acetate
PubChem CID13182760
Molecular FormulaC16H10O4
Molecular Weight266.25 g/mol
Exact Mass266.06
IUPAC Name(9,10-dioxoanthracen-2-yl) acetate
SMILESCC(=O)Oc1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H10O4/c1-9(17)20-10-6-7-13-14(8-10)16(19)12-5-3-2-4-11(12)15(13)18/h2-8H,1H3
InChIKeyFGKGRDOTGFSFDX-UHFFFAOYSA-N
XLogP2.39
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (9,10-dioxoanthracen-2-yl) acetate?
The IUPAC name of (9,10-dioxoanthracen-2-yl) acetate (CID 13182760) is (9,10-dioxoanthracen-2-yl) acetate.
What is the SMILES notation for (9,10-dioxoanthracen-2-yl) acetate?
The canonical SMILES for (9,10-dioxoanthracen-2-yl) acetate is CC(=O)Oc1ccc2c(c1)C(=O)c1ccccc1C2=O.
What is the InChIKey of (9,10-dioxoanthracen-2-yl) acetate?
The InChIKey is FGKGRDOTGFSFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O4/c1-9(17)20-10-6-7-13-14(8-10)16(19)12-5-3-2-4-11(12)15(13)18/h2-8H,1H3.
What are the key properties of (9,10-dioxoanthracen-2-yl) acetate?
(9,10-dioxoanthracen-2-yl) acetate has a molecular weight of 266.25 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9,10-dioxoanthracen-2-yl) acetate is sourced from PubChem (CID 13182760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).