2-(5,8-dimethoxy-1,4-dioxonaphthalen-2-yl)-5,8-dimethoxynaphthalene-1,4-dione

C24H18O8 — CID 634823

IUPAC2-(5,8-dimethoxy-1,4-dioxonaphthalen-2-yl)-5,8-dimethoxynaphthalene-1,4-dione
SMILESCOc1ccc(OC)c2c1C(=O)C=C(C1=CC(=O)c3c(OC)ccc(OC)c3C1=O)C2=O
InChIInChI=1S/C24H18O8/c1-29-15-5-7-17(31-3)21-19(15)13(25)9-11(23(21)27)12-10-14(26)20-16(30-2)6-8-18(32-4)22(20)24(12)28/h5-10H,1-4H3
InChIKeyHKDVYXXPLCOAMF-UHFFFAOYSA-N
MW434.40 g/mol
LogP3.03
Rot. Bonds5

About 2-(5,8-dimethoxy-1,4-dioxonaphthalen-2-yl)-5,8-dimethoxynaphthalene-1,4-dione

2-(5,8-dimethoxy-1,4-dioxonaphthalen-2-yl)-5,8-dimethoxynaphthalene-1,4-dione (PubChem CID 634823) has the molecular formula C24H18O8 and a molecular weight of 434.40 g/mol. Its IUPAC name is 2-(5,8-dimethoxy-1,4-dioxonaphthalen-2-yl)-5,8-dimethoxynaphthalene-1,4-dione.

Molecular Properties

Compound Name2-(5,8-dimethoxy-1,4-dioxonaphthalen-2-yl)-5,8-dimethoxynaphthalene-1,4-dione
PubChem CID634823
Molecular FormulaC24H18O8
Molecular Weight434.40 g/mol
Exact Mass434.10
IUPAC Name2-(5,8-dimethoxy-1,4-dioxonaphthalen-2-yl)-5,8-dimethoxynaphthalene-1,4-dione
SMILESCOc1ccc(OC)c2c1C(=O)C=C(C1=CC(=O)c3c(OC)ccc(OC)c3C1=O)C2=O
InChIInChI=1S/C24H18O8/c1-29-15-5-7-17(31-3)21-19(15)13(25)9-11(23(21)27)12-10-14(26)20-16(30-2)6-8-18(32-4)22(20)24(12)28/h5-10H,1-4H3
InChIKeyHKDVYXXPLCOAMF-UHFFFAOYSA-N
XLogP3.03
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.40
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-indol-3-yl)-5,8-dimethoxynaphthalene-1,4-dione
CID 11674379
2-ethylsulfanyl-5,8-dimethoxynaphthalene-1,4-dione
CID 57410783
2-(ethylamino)-5,8-dimethoxynaphthalene-1,4-dione
CID 67425404
5,8-dimethoxy-2-propanoylnaphthalene-1,4-dione
CID 10636032
5,8-dimethoxy-2-[2-(methylamino)ethylamino]naphthalene-1,4-dione
CID 142711879
2-butylsulfanyl-5,8-dimethoxynaphthalene-1,4-dione
CID 142691059
2-bromo-5-(2,6-dimethoxyphenyl)cyclohexa-2,5-diene-1,4-dione
CID 135018935
1,4-dihydroxy-5,8-dimethoxyanthracene-9,10-dione
CID 21437455
5,8-dimethoxy-2-(1-methoxy-4-methylpentyl)naphthalene-1,4-dione
CID 10688014
2-(2-hydroxypropylsulfanyl)-5,8-dimethoxynaphthalene-1,4-dione
CID 142711894
5,8-dimethoxy-2-[methylidene(2-oxopropyl)-λ4-sulfanyl]naphthalene-1,4-dione
CID 58055871
2-(1-hydroxybutan-2-ylamino)-5,8-dimethoxynaphthalene-1,4-dione
CID 72547559

Frequently Asked Questions

What is the IUPAC name of 2-(5,8-dimethoxy-1,4-dioxonaphthalen-2-yl)-5,8-dimethoxynaphthalene-1,4-dione?
The IUPAC name of 2-(5,8-dimethoxy-1,4-dioxonaphthalen-2-yl)-5,8-dimethoxynaphthalene-1,4-dione (CID 634823) is 2-(5,8-dimethoxy-1,4-dioxonaphthalen-2-yl)-5,8-dimethoxynaphthalene-1,4-dione.
What is the SMILES notation for 2-(5,8-dimethoxy-1,4-dioxonaphthalen-2-yl)-5,8-dimethoxynaphthalene-1,4-dione?
The canonical SMILES for 2-(5,8-dimethoxy-1,4-dioxonaphthalen-2-yl)-5,8-dimethoxynaphthalene-1,4-dione is COc1ccc(OC)c2c1C(=O)C=C(C1=CC(=O)c3c(OC)ccc(OC)c3C1=O)C2=O.
What is the InChIKey of 2-(5,8-dimethoxy-1,4-dioxonaphthalen-2-yl)-5,8-dimethoxynaphthalene-1,4-dione?
The InChIKey is HKDVYXXPLCOAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O8/c1-29-15-5-7-17(31-3)21-19(15)13(25)9-11(23(21)27)12-10-14(26)20-16(30-2)6-8-18(32-4)22(20)24(12)28/h5-10H,1-4H3.
What are the key properties of 2-(5,8-dimethoxy-1,4-dioxonaphthalen-2-yl)-5,8-dimethoxynaphthalene-1,4-dione?
2-(5,8-dimethoxy-1,4-dioxonaphthalen-2-yl)-5,8-dimethoxynaphthalene-1,4-dione has a molecular weight of 434.40 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,8-dimethoxy-1,4-dioxonaphthalen-2-yl)-5,8-dimethoxynaphthalene-1,4-dione is sourced from PubChem (CID 634823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).