(5,8-diacetyloxy-9,10-dioxoanthracen-2-yl) acetate

C20H14O8 — CID 57062472

IUPAC(5,8-diacetyloxy-9,10-dioxoanthracen-2-yl) acetate
SMILESCC(=O)Oc1ccc2c(c1)C(=O)c1c(OC(C)=O)ccc(OC(C)=O)c1C2=O
InChIInChI=1S/C20H14O8/c1-9(21)26-12-4-5-13-14(8-12)20(25)18-16(28-11(3)23)7-6-15(27-10(2)22)17(18)19(13)24/h4-8H,1-3H3
InChIKeyFYBWXCZUQXXIEW-UHFFFAOYSA-N
MW382.32 g/mol
LogP2.24
Rot. Bonds3

About (5,8-diacetyloxy-9,10-dioxoanthracen-2-yl) acetate

(5,8-diacetyloxy-9,10-dioxoanthracen-2-yl) acetate (PubChem CID 57062472) has the molecular formula C20H14O8 and a molecular weight of 382.32 g/mol. Its IUPAC name is (5,8-diacetyloxy-9,10-dioxoanthracen-2-yl) acetate.

Molecular Properties

Compound Name(5,8-diacetyloxy-9,10-dioxoanthracen-2-yl) acetate
PubChem CID57062472
Molecular FormulaC20H14O8
Molecular Weight382.32 g/mol
Exact Mass382.07
IUPAC Name(5,8-diacetyloxy-9,10-dioxoanthracen-2-yl) acetate
SMILESCC(=O)Oc1ccc2c(c1)C(=O)c1c(OC(C)=O)ccc(OC(C)=O)c1C2=O
InChIInChI=1S/C20H14O8/c1-9(21)26-12-4-5-13-14(8-12)20(25)18-16(28-11(3)23)7-6-15(27-10(2)22)17(18)19(13)24/h4-8H,1-3H3
InChIKeyFYBWXCZUQXXIEW-UHFFFAOYSA-N
XLogP2.24
TPSA113.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.32
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 (5,8-diacetyloxy-9,10-dioxoanthracen-2-yl) acetate?
The IUPAC name of (5,8-diacetyloxy-9,10-dioxoanthracen-2-yl) acetate (CID 57062472) is (5,8-diacetyloxy-9,10-dioxoanthracen-2-yl) acetate.
What is the SMILES notation for (5,8-diacetyloxy-9,10-dioxoanthracen-2-yl) acetate?
The canonical SMILES for (5,8-diacetyloxy-9,10-dioxoanthracen-2-yl) acetate is CC(=O)Oc1ccc2c(c1)C(=O)c1c(OC(C)=O)ccc(OC(C)=O)c1C2=O.
What is the InChIKey of (5,8-diacetyloxy-9,10-dioxoanthracen-2-yl) acetate?
The InChIKey is FYBWXCZUQXXIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O8/c1-9(21)26-12-4-5-13-14(8-12)20(25)18-16(28-11(3)23)7-6-15(27-10(2)22)17(18)19(13)24/h4-8H,1-3H3.
What are the key properties of (5,8-diacetyloxy-9,10-dioxoanthracen-2-yl) acetate?
(5,8-diacetyloxy-9,10-dioxoanthracen-2-yl) acetate has a molecular weight of 382.32 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5,8-diacetyloxy-9,10-dioxoanthracen-2-yl) acetate is sourced from PubChem (CID 57062472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).