6,7-dihydroxy-2-methoxy-5-methylnaphthalene-1,4-dione

C12H10O5 — CID 146684220

IUPAC6,7-dihydroxy-2-methoxy-5-methylnaphthalene-1,4-dione
SMILESCOC1=CC(=O)c2c(cc(O)c(O)c2C)C1=O
InChIInChI=1S/C12H10O5/c1-5-10-6(3-8(14)11(5)15)12(16)9(17-2)4-7(10)13/h3-4,14-15H,1-2H3
InChIKeyKUPAUQHGUZLVLB-UHFFFAOYSA-N
MW234.21 g/mol
LogP1.32
Rot. Bonds1

About 6,7-dihydroxy-2-methoxy-5-methylnaphthalene-1,4-dione

6,7-dihydroxy-2-methoxy-5-methylnaphthalene-1,4-dione (PubChem CID 146684220) has the molecular formula C12H10O5 and a molecular weight of 234.21 g/mol. Its IUPAC name is 6,7-dihydroxy-2-methoxy-5-methylnaphthalene-1,4-dione.

Molecular Properties

Compound Name6,7-dihydroxy-2-methoxy-5-methylnaphthalene-1,4-dione
PubChem CID146684220
Molecular FormulaC12H10O5
Molecular Weight234.21 g/mol
Exact Mass234.05
IUPAC Name6,7-dihydroxy-2-methoxy-5-methylnaphthalene-1,4-dione
SMILESCOC1=CC(=O)c2c(cc(O)c(O)c2C)C1=O
InChIInChI=1S/C12H10O5/c1-5-10-6(3-8(14)11(5)15)12(16)9(17-2)4-7(10)13/h3-4,14-15H,1-2H3
InChIKeyKUPAUQHGUZLVLB-UHFFFAOYSA-N
XLogP1.32
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

5,7-dihydroxy-2-methoxynaphthalene-1,4-dione
CID 71713819
5,10-dihydroxy-2-methoxy-6-methylanthracene-1,4-dione
CID 625049
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
6-hexa-2,4-dienoyl-7-hydroxy-2-methoxy-8-methylnaphthalene-1,4-dione
CID 163152779
2-hydroxy-5-methoxy-3-(2-methylfuran-3-yl)cyclohexa-2,5-diene-1,4-dione
CID 24976352
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
7-hydroxy-3,8-dimethoxyphenanthrene-1,4-dione
CID 23251770
(2E)-8-hydroxy-2-(8-hydroxy-4-methoxy-6-methyl-1-oxonaphthalen-2-ylidene)-4-methoxy-6-methylnaphthalen-1-one
CID 15082476
3,6-dihydroxy-1,2,7,8-tetramethylanthracene-9,10-dione
CID 156580717

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydroxy-2-methoxy-5-methylnaphthalene-1,4-dione?
The IUPAC name of 6,7-dihydroxy-2-methoxy-5-methylnaphthalene-1,4-dione (CID 146684220) is 6,7-dihydroxy-2-methoxy-5-methylnaphthalene-1,4-dione.
What is the SMILES notation for 6,7-dihydroxy-2-methoxy-5-methylnaphthalene-1,4-dione?
The canonical SMILES for 6,7-dihydroxy-2-methoxy-5-methylnaphthalene-1,4-dione is COC1=CC(=O)c2c(cc(O)c(O)c2C)C1=O.
What is the InChIKey of 6,7-dihydroxy-2-methoxy-5-methylnaphthalene-1,4-dione?
The InChIKey is KUPAUQHGUZLVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O5/c1-5-10-6(3-8(14)11(5)15)12(16)9(17-2)4-7(10)13/h3-4,14-15H,1-2H3.
What are the key properties of 6,7-dihydroxy-2-methoxy-5-methylnaphthalene-1,4-dione?
6,7-dihydroxy-2-methoxy-5-methylnaphthalene-1,4-dione has a molecular weight of 234.21 g/mol, XLogP of 1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydroxy-2-methoxy-5-methylnaphthalene-1,4-dione is sourced from PubChem (CID 146684220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).