8-methoxy-2-prop-2-enoylnaphthalene-1,4-dione

C14H10O4 — CID 14377957

IUPAC8-methoxy-2-prop-2-enoylnaphthalene-1,4-dione
SMILESC=CC(=O)C1=CC(=O)c2cccc(OC)c2C1=O
InChIInChI=1S/C14H10O4/c1-3-10(15)9-7-11(16)8-5-4-6-12(18-2)13(8)14(9)17/h3-7H,1H2,2H3
InChIKeyRMJVZEQBHPXOMG-UHFFFAOYSA-N
MW242.23 g/mol
LogP1.76
Rot. Bonds3

About 8-methoxy-2-prop-2-enoylnaphthalene-1,4-dione

8-methoxy-2-prop-2-enoylnaphthalene-1,4-dione (PubChem CID 14377957) has the molecular formula C14H10O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is 8-methoxy-2-prop-2-enoylnaphthalene-1,4-dione.

Molecular Properties

Compound Name8-methoxy-2-prop-2-enoylnaphthalene-1,4-dione
PubChem CID14377957
Molecular FormulaC14H10O4
Molecular Weight242.23 g/mol
Exact Mass242.06
IUPAC Name8-methoxy-2-prop-2-enoylnaphthalene-1,4-dione
SMILESC=CC(=O)C1=CC(=O)c2cccc(OC)c2C1=O
InChIInChI=1S/C14H10O4/c1-3-10(15)9-7-11(16)8-5-4-6-12(18-2)13(8)14(9)17/h3-7H,1H2,2H3
InChIKeyRMJVZEQBHPXOMG-UHFFFAOYSA-N
XLogP1.76
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

1,5-dimethoxyfluoren-9-one
CID 19594782
1-methoxy-5-prop-2-enoxyanthracene-9,10-dione
CID 100970619
1-hydroxy-5-methoxy-2-prop-2-enylanthracene-9,10-dione
CID 100970620
dimethyl 5-methoxy-1,4-dioxonaphthalene-2,3-dicarboxylate
CID 10470278
1-(2-fluoro-3-methoxyphenyl)prop-2-en-1-one
CID 103453675
8-hydroxy-2-methoxynaphthalene-1,4-dione
CID 609303
8-methoxy-2-(4-methylphenyl)sulfanylnaphthalene-1,4-dione
CID 6481305
2-(4-chlorophenyl)sulfanyl-8-methoxynaphthalene-1,4-dione
CID 6481306
methyl (E)-3-(5-methoxy-1,4-dioxonaphthalen-2-yl)prop-2-enoate
CID 170895316
5-methoxy-2-(5-methoxy-3-methyl-1,4-dioxonaphthalen-2-yl)-3-methylnaphthalene-1,4-dione
CID 633617
5,8-dimethoxy-2-propanoylnaphthalene-1,4-dione
CID 10636032
1-(2-hydroxyethoxy)-5-methoxyanthracene-9,10-dione
CID 90269328

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-prop-2-enoylnaphthalene-1,4-dione?
The IUPAC name of 8-methoxy-2-prop-2-enoylnaphthalene-1,4-dione (CID 14377957) is 8-methoxy-2-prop-2-enoylnaphthalene-1,4-dione.
What is the SMILES notation for 8-methoxy-2-prop-2-enoylnaphthalene-1,4-dione?
The canonical SMILES for 8-methoxy-2-prop-2-enoylnaphthalene-1,4-dione is C=CC(=O)C1=CC(=O)c2cccc(OC)c2C1=O.
What is the InChIKey of 8-methoxy-2-prop-2-enoylnaphthalene-1,4-dione?
The InChIKey is RMJVZEQBHPXOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O4/c1-3-10(15)9-7-11(16)8-5-4-6-12(18-2)13(8)14(9)17/h3-7H,1H2,2H3.
What are the key properties of 8-methoxy-2-prop-2-enoylnaphthalene-1,4-dione?
8-methoxy-2-prop-2-enoylnaphthalene-1,4-dione has a molecular weight of 242.23 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-prop-2-enoylnaphthalene-1,4-dione is sourced from PubChem (CID 14377957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).