2-ethyl-3,5,6,8-tetramethoxy-7-methylnaphthalene-1,4-dione

C17H20O6 — CID 11638335

IUPAC2-ethyl-3,5,6,8-tetramethoxy-7-methylnaphthalene-1,4-dione
SMILESCCC1=C(OC)C(=O)c2c(OC)c(OC)c(C)c(OC)c2C1=O
InChIInChI=1S/C17H20O6/c1-7-9-12(18)10-11(13(19)16(9)22-5)17(23-6)15(21-4)8(2)14(10)20-3/h7H2,1-6H3
InChIKeySOWUOSLQGPLXJJ-UHFFFAOYSA-N
MW320.34 g/mol
LogP2.71
Rot. Bonds5

About 2-ethyl-3,5,6,8-tetramethoxy-7-methylnaphthalene-1,4-dione

2-ethyl-3,5,6,8-tetramethoxy-7-methylnaphthalene-1,4-dione (PubChem CID 11638335) has the molecular formula C17H20O6 and a molecular weight of 320.34 g/mol. Its IUPAC name is 2-ethyl-3,5,6,8-tetramethoxy-7-methylnaphthalene-1,4-dione.

Molecular Properties

Compound Name2-ethyl-3,5,6,8-tetramethoxy-7-methylnaphthalene-1,4-dione
PubChem CID11638335
Molecular FormulaC17H20O6
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC Name2-ethyl-3,5,6,8-tetramethoxy-7-methylnaphthalene-1,4-dione
SMILESCCC1=C(OC)C(=O)c2c(OC)c(OC)c(C)c(OC)c2C1=O
InChIInChI=1S/C17H20O6/c1-7-9-12(18)10-11(13(19)16(9)22-5)17(23-6)15(21-4)8(2)14(10)20-3/h7H2,1-6H3
InChIKeySOWUOSLQGPLXJJ-UHFFFAOYSA-N
XLogP2.71
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-5-hydroxy-2,6,7-trimethoxynaphthalene-1,4-dione
CID 11119876
2-ethyl-3-methoxy-5-methyl-6-(3-methylbut-2-enyl)cyclohexa-2,5-diene-1,4-dione
CID 71165506
6-(hydroxymethyl)-2,5,8-trimethoxy-3-(2-oxopropyl)naphthalene-1,4-dione
CID 15082047
2-ethyl-5-methoxy-3,6-dimethyl-1H-indole-4,7-dione
CID 20753148
2-ethyl-3,6-dimethoxynaphthalene-1,4-dione
CID 19873115
1,2,4,5-tetramethoxy-3-methyl-6-phenylbenzene
CID 90709146
2-bromo-5-chloro-3-ethyl-6-methoxycyclohexa-2,5-diene-1,4-dione
CID 134878880
3-(1,4-dimethoxy-3-methylnaphthalen-2-yl)propyl methanesulfonate
CID 86718813
2,3-dimethoxyphenanthrene-1,4-dione
CID 14003225
10-(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)decyl methanesulfonate
CID 58726785
5,6,7,8-tetrafluoro-2,3-dimethoxynaphthalene-1,4-dione
CID 52918191
2,3-diethyl-5,7-dimethoxynaphthalene-1,4-dione
CID 101063620

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,5,6,8-tetramethoxy-7-methylnaphthalene-1,4-dione?
The IUPAC name of 2-ethyl-3,5,6,8-tetramethoxy-7-methylnaphthalene-1,4-dione (CID 11638335) is 2-ethyl-3,5,6,8-tetramethoxy-7-methylnaphthalene-1,4-dione.
What is the SMILES notation for 2-ethyl-3,5,6,8-tetramethoxy-7-methylnaphthalene-1,4-dione?
The canonical SMILES for 2-ethyl-3,5,6,8-tetramethoxy-7-methylnaphthalene-1,4-dione is CCC1=C(OC)C(=O)c2c(OC)c(OC)c(C)c(OC)c2C1=O.
What is the InChIKey of 2-ethyl-3,5,6,8-tetramethoxy-7-methylnaphthalene-1,4-dione?
The InChIKey is SOWUOSLQGPLXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O6/c1-7-9-12(18)10-11(13(19)16(9)22-5)17(23-6)15(21-4)8(2)14(10)20-3/h7H2,1-6H3.
What are the key properties of 2-ethyl-3,5,6,8-tetramethoxy-7-methylnaphthalene-1,4-dione?
2-ethyl-3,5,6,8-tetramethoxy-7-methylnaphthalene-1,4-dione has a molecular weight of 320.34 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,5,6,8-tetramethoxy-7-methylnaphthalene-1,4-dione is sourced from PubChem (CID 11638335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).