5,7-dichloro-2-methoxynaphthalene-1,4-dione

C11H6Cl2O3 — CID 15029633

IUPAC5,7-dichloro-2-methoxynaphthalene-1,4-dione
SMILESCOC1=CC(=O)c2c(Cl)cc(Cl)cc2C1=O
InChIInChI=1S/C11H6Cl2O3/c1-16-9-4-8(14)10-6(11(9)15)2-5(12)3-7(10)13/h2-4H,1H3
InChIKeyTVESNGUSWSBPAB-UHFFFAOYSA-N
MW257.07 g/mol
LogP2.90
Rot. Bonds1

About 5,7-dichloro-2-methoxynaphthalene-1,4-dione

5,7-dichloro-2-methoxynaphthalene-1,4-dione (PubChem CID 15029633) has the molecular formula C11H6Cl2O3 and a molecular weight of 257.07 g/mol. Its IUPAC name is 5,7-dichloro-2-methoxynaphthalene-1,4-dione.

Molecular Properties

Compound Name5,7-dichloro-2-methoxynaphthalene-1,4-dione
PubChem CID15029633
Molecular FormulaC11H6Cl2O3
Molecular Weight257.07 g/mol
Exact Mass255.97
IUPAC Name5,7-dichloro-2-methoxynaphthalene-1,4-dione
SMILESCOC1=CC(=O)c2c(Cl)cc(Cl)cc2C1=O
InChIInChI=1S/C11H6Cl2O3/c1-16-9-4-8(14)10-6(11(9)15)2-5(12)3-7(10)13/h2-4H,1H3
InChIKeyTVESNGUSWSBPAB-UHFFFAOYSA-N
XLogP2.90
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.07
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,7-dihydroxy-2-methoxynaphthalene-1,4-dione
CID 71713819
6-ethyl-5-hydroxy-2,7-dimethoxynaphthalene-1,4-dione
CID 15061180
5,10-dihydroxy-2-methoxy-6-methylanthracene-1,4-dione
CID 625049
(2Z)-4,6-dichloro-2-(hydroxymethylidene)indene-1,3-dione
CID 58747261
2,7,8-trimethoxynaphthalene-1,4-dione
CID 71387360
7-(ethoxymethoxy)-6-iodo-2,5-dimethoxynaphthalene-1,4-dione
CID 71713821
2-chloro-5-methoxy-7-methylnaphthalene-1,4-dione
CID 13412780
7-(hydroxymethyl)-2-methoxynaphthalene-1,4-dione
CID 168745639
5,7-dichloro-3-(3,4,5-trimethoxyphenyl)imino-1H-indol-2-one
CID 135537853
5-chloro-4-hydroxy-7,8-dimethoxynaphthalene-1,2-dione
CID 82254523
4,5-dihydroxy-3-[1-(1-hydroxy-3,6-dimethoxy-5,8-dioxonaphthalen-2-yl)ethyl]-6-(1-hydroxyethyl)-7-methoxynaphthalene-1,2-dione
CID 170989302
8-hydroxy-7-(4-hydroxy-7-methoxy-2-methyl-5,8-dioxonaphthalen-1-yl)-2-methoxy-6-methylnaphthalene-1,4-dione
CID 14237026

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-2-methoxynaphthalene-1,4-dione?
The IUPAC name of 5,7-dichloro-2-methoxynaphthalene-1,4-dione (CID 15029633) is 5,7-dichloro-2-methoxynaphthalene-1,4-dione.
What is the SMILES notation for 5,7-dichloro-2-methoxynaphthalene-1,4-dione?
The canonical SMILES for 5,7-dichloro-2-methoxynaphthalene-1,4-dione is COC1=CC(=O)c2c(Cl)cc(Cl)cc2C1=O.
What is the InChIKey of 5,7-dichloro-2-methoxynaphthalene-1,4-dione?
The InChIKey is TVESNGUSWSBPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2O3/c1-16-9-4-8(14)10-6(11(9)15)2-5(12)3-7(10)13/h2-4H,1H3.
What are the key properties of 5,7-dichloro-2-methoxynaphthalene-1,4-dione?
5,7-dichloro-2-methoxynaphthalene-1,4-dione has a molecular weight of 257.07 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2-methoxynaphthalene-1,4-dione is sourced from PubChem (CID 15029633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).