ethane;2-methoxy-6-(2,4,5,7-tetramethoxy-10-oxo-9H-anthracen-9-yl)pyran-4-one

C28H34O8 — CID 91221028

IUPACethane;2-methoxy-6-(2,4,5,7-tetramethoxy-10-oxo-9H-anthracen-9-yl)pyran-4-one
SMILESCC.CC.COc1cc(OC)c2c(c1)C(c1cc(=O)cc(OC)o1)c1cc(OC)cc(OC)c1C2=O
InChIInChI=1S/C24H22O8.2C2H6/c1-27-13-8-15-21(19-6-12(25)7-20(31-5)32-19)16-9-14(28-2)11-18(30-4)23(16)24(26)22(15)17(10-13)29-3;2*1-2/h6-11,21H,1-5H3;2*1-2H3
InChIKeySKOGGYYNGZKVDG-UHFFFAOYSA-N
MW498.57 g/mol
LogP5.46
Rot. Bonds6

About ethane;2-methoxy-6-(2,4,5,7-tetramethoxy-10-oxo-9H-anthracen-9-yl)pyran-4-one

ethane;2-methoxy-6-(2,4,5,7-tetramethoxy-10-oxo-9H-anthracen-9-yl)pyran-4-one (PubChem CID 91221028) has the molecular formula C28H34O8 and a molecular weight of 498.57 g/mol. Its IUPAC name is ethane;2-methoxy-6-(2,4,5,7-tetramethoxy-10-oxo-9H-anthracen-9-yl)pyran-4-one.

Molecular Properties

Compound Nameethane;2-methoxy-6-(2,4,5,7-tetramethoxy-10-oxo-9H-anthracen-9-yl)pyran-4-one
PubChem CID91221028
Molecular FormulaC28H34O8
Molecular Weight498.57 g/mol
Exact Mass498.23
IUPAC Nameethane;2-methoxy-6-(2,4,5,7-tetramethoxy-10-oxo-9H-anthracen-9-yl)pyran-4-one
SMILESCC.CC.COc1cc(OC)c2c(c1)C(c1cc(=O)cc(OC)o1)c1cc(OC)cc(OC)c1C2=O
InChIInChI=1S/C24H22O8.2C2H6/c1-27-13-8-15-21(19-6-12(25)7-20(31-5)32-19)16-9-14(28-2)11-18(30-4)23(16)24(26)22(15)17(10-13)29-3;2*1-2/h6-11,21H,1-5H3;2*1-2H3
InChIKeySKOGGYYNGZKVDG-UHFFFAOYSA-N
XLogP5.46
TPSA93.43 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.57
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methoxy-6-(2,4,5,7-tetramethoxy-10-oxo-9H-anthracen-9-yl)pyran-4-one?
The IUPAC name of ethane;2-methoxy-6-(2,4,5,7-tetramethoxy-10-oxo-9H-anthracen-9-yl)pyran-4-one (CID 91221028) is ethane;2-methoxy-6-(2,4,5,7-tetramethoxy-10-oxo-9H-anthracen-9-yl)pyran-4-one.
What is the SMILES notation for ethane;2-methoxy-6-(2,4,5,7-tetramethoxy-10-oxo-9H-anthracen-9-yl)pyran-4-one?
The canonical SMILES for ethane;2-methoxy-6-(2,4,5,7-tetramethoxy-10-oxo-9H-anthracen-9-yl)pyran-4-one is CC.CC.COc1cc(OC)c2c(c1)C(c1cc(=O)cc(OC)o1)c1cc(OC)cc(OC)c1C2=O.
What is the InChIKey of ethane;2-methoxy-6-(2,4,5,7-tetramethoxy-10-oxo-9H-anthracen-9-yl)pyran-4-one?
The InChIKey is SKOGGYYNGZKVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O8.2C2H6/c1-27-13-8-15-21(19-6-12(25)7-20(31-5)32-19)16-9-14(28-2)11-18(30-4)23(16)24(26)22(15)17(10-13)29-3;2*1-2/h6-11,21H,1-5H3;2*1-2H3.
What are the key properties of ethane;2-methoxy-6-(2,4,5,7-tetramethoxy-10-oxo-9H-anthracen-9-yl)pyran-4-one?
ethane;2-methoxy-6-(2,4,5,7-tetramethoxy-10-oxo-9H-anthracen-9-yl)pyran-4-one has a molecular weight of 498.57 g/mol, XLogP of 5.46, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methoxy-6-(2,4,5,7-tetramethoxy-10-oxo-9H-anthracen-9-yl)pyran-4-one is sourced from PubChem (CID 91221028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).