5,10-dihydroxy-2-methoxy-6-methylanthracene-1,4-dione

C16H12O5 — CID 625049

IUPAC5,10-dihydroxy-2-methoxy-6-methylanthracene-1,4-dione
SMILESCOC1=CC(=O)c2c(cc3ccc(C)c(O)c3c2O)C1=O
InChIInChI=1S/C16H12O5/c1-7-3-4-8-5-9-13(16(20)12(8)14(7)18)10(17)6-11(21-2)15(9)19/h3-6,18,20H,1-2H3
InChIKeyGMHOHKPMBFVFDX-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.47
Rot. Bonds1

About 5,10-dihydroxy-2-methoxy-6-methylanthracene-1,4-dione

5,10-dihydroxy-2-methoxy-6-methylanthracene-1,4-dione (PubChem CID 625049) has the molecular formula C16H12O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is 5,10-dihydroxy-2-methoxy-6-methylanthracene-1,4-dione.

Molecular Properties

Compound Name5,10-dihydroxy-2-methoxy-6-methylanthracene-1,4-dione
PubChem CID625049
Molecular FormulaC16H12O5
Molecular Weight284.27 g/mol
Exact Mass284.07
IUPAC Name5,10-dihydroxy-2-methoxy-6-methylanthracene-1,4-dione
SMILESCOC1=CC(=O)c2c(cc3ccc(C)c(O)c3c2O)C1=O
InChIInChI=1S/C16H12O5/c1-7-3-4-8-5-9-13(16(20)12(8)14(7)18)10(17)6-11(21-2)15(9)19/h3-6,18,20H,1-2H3
InChIKeyGMHOHKPMBFVFDX-UHFFFAOYSA-N
XLogP2.47
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6,7-dihydroxy-2-methoxy-5-methylnaphthalene-1,4-dione
CID 146684220
5,7-dihydroxy-2-methoxynaphthalene-1,4-dione
CID 71713819
6-ethyl-5-hydroxy-2,7-dimethoxynaphthalene-1,4-dione
CID 15061180
5,7-dichloro-2-methoxynaphthalene-1,4-dione
CID 15029633
8-hydroxy-7-(4-hydroxy-7-methoxy-2-methyl-5,8-dioxonaphthalen-1-yl)-2-methoxy-6-methylnaphthalene-1,4-dione
CID 14237026
8-hydroxy-2-methoxynaphthalene-1,4-dione
CID 609303
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
1,3,8-trihydroxy-2-methoxy-7-methylanthracene-9,10-dione
CID 25203826
8-methoxy-5-(naphthalene-2-carbonyl)pyrrolo[1,2-b]isoquinoline-6,9-dione
CID 162767300
2-hydroxy-5-methoxy-3-(2-methylfuran-3-yl)cyclohexa-2,5-diene-1,4-dione
CID 24976352
7-(hydroxymethyl)-2-methoxynaphthalene-1,4-dione
CID 168745639
2,6-dibromo-5-hydroxy-7-methylnaphthalene-1,4-dione
CID 631443

Frequently Asked Questions

What is the IUPAC name of 5,10-dihydroxy-2-methoxy-6-methylanthracene-1,4-dione?
The IUPAC name of 5,10-dihydroxy-2-methoxy-6-methylanthracene-1,4-dione (CID 625049) is 5,10-dihydroxy-2-methoxy-6-methylanthracene-1,4-dione.
What is the SMILES notation for 5,10-dihydroxy-2-methoxy-6-methylanthracene-1,4-dione?
The canonical SMILES for 5,10-dihydroxy-2-methoxy-6-methylanthracene-1,4-dione is COC1=CC(=O)c2c(cc3ccc(C)c(O)c3c2O)C1=O.
What is the InChIKey of 5,10-dihydroxy-2-methoxy-6-methylanthracene-1,4-dione?
The InChIKey is GMHOHKPMBFVFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O5/c1-7-3-4-8-5-9-13(16(20)12(8)14(7)18)10(17)6-11(21-2)15(9)19/h3-6,18,20H,1-2H3.
What are the key properties of 5,10-dihydroxy-2-methoxy-6-methylanthracene-1,4-dione?
5,10-dihydroxy-2-methoxy-6-methylanthracene-1,4-dione has a molecular weight of 284.27 g/mol, XLogP of 2.47, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-dihydroxy-2-methoxy-6-methylanthracene-1,4-dione is sourced from PubChem (CID 625049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).