2,7-dimethoxypyrene-4,5,9,10-tetrone

C18H10O6 — CID 153364564

IUPAC2,7-dimethoxypyrene-4,5,9,10-tetrone
SMILESCOc1cc2c3c(c1)c(=O)c(=O)c1cc(OC)cc(c1-3)c(=O)c2=O
InChIInChI=1S/C18H10O6/c1-23-7-3-9-13-10(4-7)16(20)18(22)12-6-8(24-2)5-11(14(12)13)17(21)15(9)19/h3-6H,1-2H3
InChIKeyDBJMBAYGTREANH-UHFFFAOYSA-N
MW322.27 g/mol
LogP0.87
Rot. Bonds2

About 2,7-dimethoxypyrene-4,5,9,10-tetrone

2,7-dimethoxypyrene-4,5,9,10-tetrone (PubChem CID 153364564) has the molecular formula C18H10O6 and a molecular weight of 322.27 g/mol. Its IUPAC name is 2,7-dimethoxypyrene-4,5,9,10-tetrone.

Molecular Properties

Compound Name2,7-dimethoxypyrene-4,5,9,10-tetrone
PubChem CID153364564
Molecular FormulaC18H10O6
Molecular Weight322.27 g/mol
Exact Mass322.05
IUPAC Name2,7-dimethoxypyrene-4,5,9,10-tetrone
SMILESCOc1cc2c3c(c1)c(=O)c(=O)c1cc(OC)cc(c1-3)c(=O)c2=O
InChIInChI=1S/C18H10O6/c1-23-7-3-9-13-10(4-7)16(20)18(22)12-6-8(24-2)5-11(14(12)13)17(21)15(9)19/h3-6H,1-2H3
InChIKeyDBJMBAYGTREANH-UHFFFAOYSA-N
XLogP0.87
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.27
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,7-dimethoxypyrene-4,5,9,10-tetrone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,3,7-tetramethoxypyrene-4,5,9,10-tetrone
CID 153364618
5-(4-methoxyphenoxy)indene-1,2,3-trione
CID 58803270
phosphane;1,3,5-trimethoxybenzene
CID 175232895
5-(4-methoxyphenyl)indene-1,2,3-trione
CID 58803268
1,3,5-trimethoxybenzene;urea
CID 174919725
3-iodo-6,8-dimethoxychromen-4-one
CID 130131544
2-(2-bromo-4-methoxyphenyl)-3-methoxycycloprop-2-en-1-one
CID 11119117
6,13-bis(2,4,6-trimethoxyphenyl)pentacene
CID 141153743
3-(3,5-dimethoxyphenyl)-1-hydroxypyrrole-2,5-dione
CID 11402417
3-ethyl-6-methoxy-2,8-dimethyl-1H-quinolin-4-one
CID 62873195
5,12-diethyl-1,3,8,10-tetramethoxyquinolino[2,3-b]acridine-7,14-dione
CID 141053736
9,10-bis(3,5-dimethoxyphenyl)anthracene
CID 11961931

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethoxypyrene-4,5,9,10-tetrone?
The IUPAC name of 2,7-dimethoxypyrene-4,5,9,10-tetrone (CID 153364564) is 2,7-dimethoxypyrene-4,5,9,10-tetrone.
What is the SMILES notation for 2,7-dimethoxypyrene-4,5,9,10-tetrone?
The canonical SMILES for 2,7-dimethoxypyrene-4,5,9,10-tetrone is COc1cc2c3c(c1)c(=O)c(=O)c1cc(OC)cc(c1-3)c(=O)c2=O.
What is the InChIKey of 2,7-dimethoxypyrene-4,5,9,10-tetrone?
The InChIKey is DBJMBAYGTREANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10O6/c1-23-7-3-9-13-10(4-7)16(20)18(22)12-6-8(24-2)5-11(14(12)13)17(21)15(9)19/h3-6H,1-2H3.
What are the key properties of 2,7-dimethoxypyrene-4,5,9,10-tetrone?
2,7-dimethoxypyrene-4,5,9,10-tetrone has a molecular weight of 322.27 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethoxypyrene-4,5,9,10-tetrone is sourced from PubChem (CID 153364564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).