1,4-Naphthalenedione, 2-methoxy-3-(3-methyl-2-butenyl)-
Basic information
- CAS
17241-45-1- Standard SMILES
COC1=C(CC=C(C)C)C(=O)c2ccccc2C1=O- InChIKey
NHTTYMNGELRKMP-UHFFFAOYSA-N- Molecular formula
- C16H16O3
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 256.10994437
Overview
1,4-Naphthalenedione, 2-methoxy-3-(3-methyl-2-butenyl)- has been reported in Rubia tinctorum and Handroanthus impetiginosus with data available.
Names & identifiers
- Preferred name
- 1,4-Naphthalenedione, 2-methoxy-3-(3-methyl-2-butenyl)-
- IUPAC
- 2-methoxy-3-(3-methylbut-2-enyl)naphthalene-1,4-dione
Names & synonyms
17241-45-1Lapachol methyl ether1,4-Naphthalenedione, 2-methoxy-3-(3-methyl-2-butenyl)-Lapachol methyletherNSC95401SCHEMBL8667704CHEMBL31048312-methoxy-3-prenylnaphthoquinoneDTXSID30938145NSC 95401NSC-95401CCG-231536
Show more names
2-METHOXY-3-(3-METHYLBUT-2-EN-1-YL)NAPHTHALENE-1,4-DIONE
Database identifiers
- CAS
17241-45-1- PubChem CID
- 96950
- DTXSID
DTXSID30938145- ChEMBL
CHEMBL3104831- Nikkaji
- J156.569I
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 453
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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