1,2,3,7-tetramethoxypyrene-4,5,9,10-tetrone

C20H14O8 — CID 153364618

IUPAC1,2,3,7-tetramethoxypyrene-4,5,9,10-tetrone
SMILESCOc1cc2c3c(c1)c(=O)c(=O)c1c(OC)c(OC)c(OC)c(c1-3)c(=O)c2=O
InChIInChI=1S/C20H14O8/c1-25-7-5-8-10-9(6-7)15(22)17(24)13-11(10)12(16(23)14(8)21)18(26-2)20(28-4)19(13)27-3/h5-6H,1-4H3
InChIKeySXMGAOKXKSDKPU-UHFFFAOYSA-N
MW382.32 g/mol
LogP0.89
Rot. Bonds4

About 1,2,3,7-tetramethoxypyrene-4,5,9,10-tetrone

1,2,3,7-tetramethoxypyrene-4,5,9,10-tetrone (PubChem CID 153364618) has the molecular formula C20H14O8 and a molecular weight of 382.32 g/mol. Its IUPAC name is 1,2,3,7-tetramethoxypyrene-4,5,9,10-tetrone.

Molecular Properties

Compound Name1,2,3,7-tetramethoxypyrene-4,5,9,10-tetrone
PubChem CID153364618
Molecular FormulaC20H14O8
Molecular Weight382.32 g/mol
Exact Mass382.07
IUPAC Name1,2,3,7-tetramethoxypyrene-4,5,9,10-tetrone
SMILESCOc1cc2c3c(c1)c(=O)c(=O)c1c(OC)c(OC)c(OC)c(c1-3)c(=O)c2=O
InChIInChI=1S/C20H14O8/c1-25-7-5-8-10-9(6-7)15(22)17(24)13-11(10)12(16(23)14(8)21)18(26-2)20(28-4)19(13)27-3/h5-6H,1-4H3
InChIKeySXMGAOKXKSDKPU-UHFFFAOYSA-N
XLogP0.89
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.32
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2,7-dimethoxypyrene-4,5,9,10-tetrone
CID 153364564
1,8-dihydroxy-2,3,4,6-tetramethoxyxanthen-9-one
CID 5487631
5-(4-methoxyphenoxy)indene-1,2,3-trione
CID 58803270
1,2,3,4,5,6,7,8-octamethoxyanthracene
CID 174988413
phosphane;1,3,5-trimethoxybenzene
CID 175232895
2-(2-bromo-4-methoxyphenyl)-3-methoxycycloprop-2-en-1-one
CID 11119117
13-(hydroxymethyl)-4,14,15-trimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one
CID 162874032
(6-acetyloxy-3,5,7,8-tetramethoxy-9-oxoxanthen-1-yl) acetate
CID 71326107
5,7-dibromo-2,3,4-trimethoxycyclohepta-2,4,6-trien-1-one
CID 10641823
5-(4-methoxyphenyl)indene-1,2,3-trione
CID 58803268
5,12-diethyl-1,3,8,10-tetramethoxyquinolino[2,3-b]acridine-7,14-dione
CID 141053736
9,18-bis(4-methoxy-N-(4-methoxyphenyl)anilino)hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(21),2,4,6,8,10,13,15,17,19-decaene-12,22-dione
CID 168665181

Frequently Asked Questions

What is the IUPAC name of 1,2,3,7-tetramethoxypyrene-4,5,9,10-tetrone?
The IUPAC name of 1,2,3,7-tetramethoxypyrene-4,5,9,10-tetrone (CID 153364618) is 1,2,3,7-tetramethoxypyrene-4,5,9,10-tetrone.
What is the SMILES notation for 1,2,3,7-tetramethoxypyrene-4,5,9,10-tetrone?
The canonical SMILES for 1,2,3,7-tetramethoxypyrene-4,5,9,10-tetrone is COc1cc2c3c(c1)c(=O)c(=O)c1c(OC)c(OC)c(OC)c(c1-3)c(=O)c2=O.
What is the InChIKey of 1,2,3,7-tetramethoxypyrene-4,5,9,10-tetrone?
The InChIKey is SXMGAOKXKSDKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O8/c1-25-7-5-8-10-9(6-7)15(22)17(24)13-11(10)12(16(23)14(8)21)18(26-2)20(28-4)19(13)27-3/h5-6H,1-4H3.
What are the key properties of 1,2,3,7-tetramethoxypyrene-4,5,9,10-tetrone?
1,2,3,7-tetramethoxypyrene-4,5,9,10-tetrone has a molecular weight of 382.32 g/mol, XLogP of 0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,7-tetramethoxypyrene-4,5,9,10-tetrone is sourced from PubChem (CID 153364618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).