(8-acetyloxy-9-oxo-10H-anthracen-1-yl) acetate

C18H14O5 — CID 10380672

IUPAC(8-acetyloxy-9-oxo-10H-anthracen-1-yl) acetate
SMILESCC(=O)Oc1cccc2c1C(=O)c1c(cccc1OC(C)=O)C2
InChIInChI=1S/C18H14O5/c1-10(19)22-14-7-3-5-12-9-13-6-4-8-15(23-11(2)20)17(13)18(21)16(12)14/h3-8H,9H2,1-2H3
InChIKeyKZVNPJJZMRGJSL-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.67
Rot. Bonds2

About (8-acetyloxy-9-oxo-10H-anthracen-1-yl) acetate

(8-acetyloxy-9-oxo-10H-anthracen-1-yl) acetate (PubChem CID 10380672) has the molecular formula C18H14O5 and a molecular weight of 310.31 g/mol. Its IUPAC name is (8-acetyloxy-9-oxo-10H-anthracen-1-yl) acetate.

Molecular Properties

Compound Name(8-acetyloxy-9-oxo-10H-anthracen-1-yl) acetate
PubChem CID10380672
Molecular FormulaC18H14O5
Molecular Weight310.31 g/mol
Exact Mass310.08
IUPAC Name(8-acetyloxy-9-oxo-10H-anthracen-1-yl) acetate
SMILESCC(=O)Oc1cccc2c1C(=O)c1c(cccc1OC(C)=O)C2
InChIInChI=1S/C18H14O5/c1-10(19)22-14-7-3-5-12-9-13-6-4-8-15(23-11(2)20)17(13)18(21)16(12)14/h3-8H,9H2,1-2H3
InChIKeyKZVNPJJZMRGJSL-UHFFFAOYSA-N
XLogP2.67
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (8-acetyloxy-9-oxo-10H-anthracen-1-yl) acetate?
The IUPAC name of (8-acetyloxy-9-oxo-10H-anthracen-1-yl) acetate (CID 10380672) is (8-acetyloxy-9-oxo-10H-anthracen-1-yl) acetate.
What is the SMILES notation for (8-acetyloxy-9-oxo-10H-anthracen-1-yl) acetate?
The canonical SMILES for (8-acetyloxy-9-oxo-10H-anthracen-1-yl) acetate is CC(=O)Oc1cccc2c1C(=O)c1c(cccc1OC(C)=O)C2.
What is the InChIKey of (8-acetyloxy-9-oxo-10H-anthracen-1-yl) acetate?
The InChIKey is KZVNPJJZMRGJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O5/c1-10(19)22-14-7-3-5-12-9-13-6-4-8-15(23-11(2)20)17(13)18(21)16(12)14/h3-8H,9H2,1-2H3.
What are the key properties of (8-acetyloxy-9-oxo-10H-anthracen-1-yl) acetate?
(8-acetyloxy-9-oxo-10H-anthracen-1-yl) acetate has a molecular weight of 310.31 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-acetyloxy-9-oxo-10H-anthracen-1-yl) acetate is sourced from PubChem (CID 10380672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).