(3R)-3-methoxynaphthalene-1,2,4-trione

C11H8O4 — CID 7074658

IUPAC(3R)-3-methoxynaphthalene-1,2,4-trione
SMILESCO[C@H]1C(=O)C(=O)c2ccccc2C1=O
InChIInChI=1S/C11H8O4/c1-15-11-9(13)7-5-3-2-4-6(7)8(12)10(11)14/h2-5,11H,1H3/t11-/m1/s1
InChIKeyIJNKQCOGLCDYDV-LLVKDONJSA-N
MW204.18 g/mol
LogP0.65
Rot. Bonds1

About (3R)-3-methoxynaphthalene-1,2,4-trione

(3R)-3-methoxynaphthalene-1,2,4-trione (PubChem CID 7074658) has the molecular formula C11H8O4 and a molecular weight of 204.18 g/mol. Its IUPAC name is (3R)-3-methoxynaphthalene-1,2,4-trione.

Molecular Properties

Compound Name(3R)-3-methoxynaphthalene-1,2,4-trione
PubChem CID7074658
Molecular FormulaC11H8O4
Molecular Weight204.18 g/mol
Exact Mass204.04
IUPAC Name(3R)-3-methoxynaphthalene-1,2,4-trione
SMILESCO[C@H]1C(=O)C(=O)c2ccccc2C1=O
InChIInChI=1S/C11H8O4/c1-15-11-9(13)7-5-3-2-4-6(7)8(12)10(11)14/h2-5,11H,1H3/t11-/m1/s1
InChIKeyIJNKQCOGLCDYDV-LLVKDONJSA-N
XLogP0.65
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'keto_keto_gamma(5)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-Methoxy-1,4-Naphthoquinone
CID 16871
2,3-Dimethoxy-1,4-naphthoquinone
CID 3136
2,3-Epoxy-2,3-dihydro-1,4-naphthoquinone
CID 85844
2,3-Epoxy-2-methyl-1,4-naphthoquinone
CID 85845
1,4-Naphthoquinone, 2-methoxy-3-methyl-
CID 79441
Naphtho[2,3-b]furan-4,9-dione, 2-acetyl-3a,9a-dihydro-
CID 91971765
1a-(3-methylbut-2-enyl)naphtho[2,3-b]oxirene-2,7(1aH,7aH)-dione
CID 44576050
2,2,3,3-Tetrahydroxynaphthalene-1,4-dione
CID 901725
2,3-Bis(methylethoxy)-2,3-dihydroxy-2,3-dihydronaphthalene-1,4-dione
CID 4999443
(1aS,7aR)-1a-(3-methylbut-2-enyl)-7aH-naphtho[2,3-b]oxirene-2,7-dione
CID 70691962
2-Ethoxynaphthalene-1,4-dione
CID 343758
3-(3-Methylbut-2-enyl)-3-[3-(3-methylbut-2-enyl)-1,4-dioxonaphthalen-2-yl]oxynaphthalene-1,2,4-trione
CID 46887989

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methoxynaphthalene-1,2,4-trione?
The IUPAC name of (3R)-3-methoxynaphthalene-1,2,4-trione (CID 7074658) is (3R)-3-methoxynaphthalene-1,2,4-trione.
What is the SMILES notation for (3R)-3-methoxynaphthalene-1,2,4-trione?
The canonical SMILES for (3R)-3-methoxynaphthalene-1,2,4-trione is CO[C@H]1C(=O)C(=O)c2ccccc2C1=O.
What is the InChIKey of (3R)-3-methoxynaphthalene-1,2,4-trione?
The InChIKey is IJNKQCOGLCDYDV-LLVKDONJSA-N. The full InChI is InChI=1S/C11H8O4/c1-15-11-9(13)7-5-3-2-4-6(7)8(12)10(11)14/h2-5,11H,1H3/t11-/m1/s1.
What are the key properties of (3R)-3-methoxynaphthalene-1,2,4-trione?
(3R)-3-methoxynaphthalene-1,2,4-trione has a molecular weight of 204.18 g/mol, XLogP of 0.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methoxynaphthalene-1,2,4-trione is sourced from PubChem (CID 7074658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).