1,3,8-trimethoxy-6-methylanthracene-9,10-dione

C18H16O5 — CID 7330510

IUPAC1,3,8-trimethoxy-6-methylanthracene-9,10-dione
SMILESCOc1cc(OC)c2c(c1)C(=O)c1cc(C)cc(OC)c1C2=O
InChIInChI=1S/C18H16O5/c1-9-5-11-15(13(6-9)22-3)18(20)16-12(17(11)19)7-10(21-2)8-14(16)23-4/h5-8H,1-4H3
InChIKeyHICKZJMJOXACIR-UHFFFAOYSA-N
MW312.32 g/mol
LogP2.80
Rot. Bonds3

About 1,3,8-trimethoxy-6-methylanthracene-9,10-dione

1,3,8-trimethoxy-6-methylanthracene-9,10-dione (PubChem CID 7330510) has the molecular formula C18H16O5 and a molecular weight of 312.32 g/mol. Its IUPAC name is 1,3,8-trimethoxy-6-methylanthracene-9,10-dione.

Molecular Properties

Compound Name1,3,8-trimethoxy-6-methylanthracene-9,10-dione
PubChem CID7330510
Molecular FormulaC18H16O5
Molecular Weight312.32 g/mol
Exact Mass312.10
IUPAC Name1,3,8-trimethoxy-6-methylanthracene-9,10-dione
SMILESCOc1cc(OC)c2c(c1)C(=O)c1cc(C)cc(OC)c1C2=O
InChIInChI=1S/C18H16O5/c1-9-5-11-15(13(6-9)22-3)18(20)16-12(17(11)19)7-10(21-2)8-14(16)23-4/h5-8H,1-4H3
InChIKeyHICKZJMJOXACIR-UHFFFAOYSA-N
XLogP2.80
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

8-hydroxy-1,3-dimethoxyanthracene-9,10-dione
CID 158328422
1-hydroxy-6-methoxy-3,8-dimethylanthracene-9,10-dione
CID 59981445
3-(2-bromoethyl)-1,6,8-trimethoxyanthracene-9,10-dione
CID 174622145
2,3-diethyl-5,7-dimethoxynaphthalene-1,4-dione
CID 101063620
1-(2-bromoethoxy)-8-hydroxy-3-methoxy-6-methylanthracene-9,10-dione
CID 71506089
1,6,8-trimethoxy-3-methyl-9,10-dioxoanthracene-2-carboxylic acid
CID 11394165
3-(ethylaminomethyl)-1,6,8-trimethoxyanthracene-9,10-dione
CID 14563125
2-chloro-5-methoxy-7-methylnaphthalene-1,4-dione
CID 13412780
(1S)-1,7,9-trimethoxy-3-methyl-1H-benzo[g]isochromene-5,10-dione
CID 163003682
6-(dibromomethyl)-1-hydroxy-3,8-dimethoxyanthracene-9,10-dione
CID 14563117
11-hydroxy-7,9-dimethoxy-3-methyl-3H-naphtho[3,2-f][2]benzofuran-1,5,10-trione
CID 11046434
dimethyl-octyl-[(4,5,7-trimethoxy-9,10-dioxoanthracen-2-yl)methyl]azanium
CID 70689102

Frequently Asked Questions

What is the IUPAC name of 1,3,8-trimethoxy-6-methylanthracene-9,10-dione?
The IUPAC name of 1,3,8-trimethoxy-6-methylanthracene-9,10-dione (CID 7330510) is 1,3,8-trimethoxy-6-methylanthracene-9,10-dione.
What is the SMILES notation for 1,3,8-trimethoxy-6-methylanthracene-9,10-dione?
The canonical SMILES for 1,3,8-trimethoxy-6-methylanthracene-9,10-dione is COc1cc(OC)c2c(c1)C(=O)c1cc(C)cc(OC)c1C2=O.
What is the InChIKey of 1,3,8-trimethoxy-6-methylanthracene-9,10-dione?
The InChIKey is HICKZJMJOXACIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O5/c1-9-5-11-15(13(6-9)22-3)18(20)16-12(17(11)19)7-10(21-2)8-14(16)23-4/h5-8H,1-4H3.
What are the key properties of 1,3,8-trimethoxy-6-methylanthracene-9,10-dione?
1,3,8-trimethoxy-6-methylanthracene-9,10-dione has a molecular weight of 312.32 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,8-trimethoxy-6-methylanthracene-9,10-dione is sourced from PubChem (CID 7330510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).