2-Ethylnaphthoquinone
Basic information
- CAS
5409-32-5- Standard SMILES
CCC1=CC(=O)c2ccccc2C1=O- InChIKey
QBHSRQVIJSKBPX-UHFFFAOYSA-N- Molecular formula
- C12H10O2
- Average molar mass
- 186.21 g/mol
- Monoisotopic mass
- 186.06807956
Names & identifiers
- Preferred name
- 2-Ethylnaphthoquinone
- IUPAC
- 2-ethylnaphthalene-1,4-dione
- English name
- 2-ethylnaphthalene-1,4-dione
- Molecular formula
- C12H10O2
- Molecular weight
- 186.2066
Names & synonyms
2-Ethyl-1,4-naphthoquinone5409-32-51,4-Naphthalenedione,2-ethyl-2-EthylnaphthoquinoneNSC 8516NSC-8516564V426H47DTXSID30202419UNII-564V426H472-ETHYL-1,4-NAPHTHALENEDIONE1,4-NAPHTHOQUINONE, 2-ETHYL-RefChem:197771
Show more names
DTXCID80124910QBHSRQVIJSKBPX-UHFFFAOYSA-N2-ethylnaphthalene-1,4-dione1,4-Naphthalenedione, 2-ethyl-NSC85162-Ethylnaphthoquinone #SCHEMBL597656SCHEMBL9685830
Database identifiers
- CAS
5409-32-5- PubChem CID
- 94922
- DTXSID
DTXSID30202419- ChEMBL
CHEMBL5409877- UNII
- 564V426H47
- Nikkaji
- J458.146F
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 301
Physicochemical properties
- FDA UNII
- 564 V426H47 · 564V426H47
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Related reactions
6 records
Compound notes
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