5-methoxy-7-methyl-2-(1,4,5-trimethoxy-7-methylnaphthalen-2-yl)naphthalene-1,4-dione

C26H24O6 — CID 52942040

IUPAC5-methoxy-7-methyl-2-(1,4,5-trimethoxy-7-methylnaphthalen-2-yl)naphthalene-1,4-dione
SMILESCOc1cc(C)cc2c1C(=O)C=C(c1cc(OC)c3c(OC)cc(C)cc3c1OC)C2=O
InChIInChI=1S/C26H24O6/c1-13-7-17-23(20(9-13)29-3)19(27)11-15(25(17)28)16-12-22(31-5)24-18(26(16)32-6)8-14(2)10-21(24)30-4/h7-12H,1-6H3
InChIKeyYVUWBNYEWVPKFE-UHFFFAOYSA-N
MW432.47 g/mol
LogP4.95
Rot. Bonds5

About 5-methoxy-7-methyl-2-(1,4,5-trimethoxy-7-methylnaphthalen-2-yl)naphthalene-1,4-dione

5-methoxy-7-methyl-2-(1,4,5-trimethoxy-7-methylnaphthalen-2-yl)naphthalene-1,4-dione (PubChem CID 52942040) has the molecular formula C26H24O6 and a molecular weight of 432.47 g/mol. Its IUPAC name is 5-methoxy-7-methyl-2-(1,4,5-trimethoxy-7-methylnaphthalen-2-yl)naphthalene-1,4-dione.

Molecular Properties

Compound Name5-methoxy-7-methyl-2-(1,4,5-trimethoxy-7-methylnaphthalen-2-yl)naphthalene-1,4-dione
PubChem CID52942040
Molecular FormulaC26H24O6
Molecular Weight432.47 g/mol
Exact Mass432.16
IUPAC Name5-methoxy-7-methyl-2-(1,4,5-trimethoxy-7-methylnaphthalen-2-yl)naphthalene-1,4-dione
SMILESCOc1cc(C)cc2c1C(=O)C=C(c1cc(OC)c3c(OC)cc(C)cc3c1OC)C2=O
InChIInChI=1S/C26H24O6/c1-13-7-17-23(20(9-13)29-3)19(27)11-15(25(17)28)16-12-22(31-5)24-18(26(16)32-6)8-14(2)10-21(24)30-4/h7-12H,1-6H3
InChIKeyYVUWBNYEWVPKFE-UHFFFAOYSA-N
XLogP4.95
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.47
LogP ≤ 54.95
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

2-chloro-5-methoxy-7-methylnaphthalene-1,4-dione
CID 13412780
2-(1-hydroxy-4,5-dimethoxy-7-methylnaphthalen-2-yl)-4,5-dimethoxy-7-methylnaphthalen-1-ol
CID 101353677
1,3,8-trimethoxy-6-methylanthracene-9,10-dione
CID 7330510
5-methoxy-2-[2-methoxy-4-methyl-6-[(E)-3-oxobut-1-enyl]phenyl]naphthalene-1,4-dione
CID 10667235
3-amino-2-(7-amino-1-methoxy-3-methyl-5,8-dioxonaphthalen-2-yl)-5-methoxy-7-methylnaphthalene-1,4-dione
CID 25111917
2-(2,3-dimethoxy-5-methylphenyl)-6-methyl-1H-pyridin-4-one
CID 169250098
1-(2,3-dimethoxy-5-methylphenyl)-5-iodo-2,3-dimethoxybenzene
CID 130424971
[(2R,3R,4S,5S)-3,4,5-triacetyloxy-6-[4-[[8-methoxy-7-(5-methoxy-7-methyl-1,4-dioxonaphthalen-2-yl)-6-methyl-1,4-dioxonaphthalen-2-yl]amino]phenoxy]oxan-2-yl]methyl acetate
CID 52940740
2-(5,8-dimethoxy-1,4-dioxonaphthalen-2-yl)-5,8-dimethoxynaphthalene-1,4-dione
CID 634823
ethyl 5,7-dimethoxy-1,4-dioxonaphthalene-2-carboxylate
CID 102153258
2-(2-methoxyphenyl)naphthalene-1,4-dione
CID 71329809
3-hydroxy-4,6,7,9-tetramethoxyphenalen-1-one
CID 102189817

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-7-methyl-2-(1,4,5-trimethoxy-7-methylnaphthalen-2-yl)naphthalene-1,4-dione?
The IUPAC name of 5-methoxy-7-methyl-2-(1,4,5-trimethoxy-7-methylnaphthalen-2-yl)naphthalene-1,4-dione (CID 52942040) is 5-methoxy-7-methyl-2-(1,4,5-trimethoxy-7-methylnaphthalen-2-yl)naphthalene-1,4-dione.
What is the SMILES notation for 5-methoxy-7-methyl-2-(1,4,5-trimethoxy-7-methylnaphthalen-2-yl)naphthalene-1,4-dione?
The canonical SMILES for 5-methoxy-7-methyl-2-(1,4,5-trimethoxy-7-methylnaphthalen-2-yl)naphthalene-1,4-dione is COc1cc(C)cc2c1C(=O)C=C(c1cc(OC)c3c(OC)cc(C)cc3c1OC)C2=O.
What is the InChIKey of 5-methoxy-7-methyl-2-(1,4,5-trimethoxy-7-methylnaphthalen-2-yl)naphthalene-1,4-dione?
The InChIKey is YVUWBNYEWVPKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O6/c1-13-7-17-23(20(9-13)29-3)19(27)11-15(25(17)28)16-12-22(31-5)24-18(26(16)32-6)8-14(2)10-21(24)30-4/h7-12H,1-6H3.
What are the key properties of 5-methoxy-7-methyl-2-(1,4,5-trimethoxy-7-methylnaphthalen-2-yl)naphthalene-1,4-dione?
5-methoxy-7-methyl-2-(1,4,5-trimethoxy-7-methylnaphthalen-2-yl)naphthalene-1,4-dione has a molecular weight of 432.47 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-7-methyl-2-(1,4,5-trimethoxy-7-methylnaphthalen-2-yl)naphthalene-1,4-dione is sourced from PubChem (CID 52942040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).