3-[3-(4-Chlorophenyl)propyl]-4-hydroxynaphthalene-1,2-dione

HCID 348263

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Basic information

CAS: 18100-12-4
Standard SMILES: O=C1C(=O)c2ccccc2C(O)=C1CCCc1ccc(Cl)cc1
InChIKey: GISGWVCECYKBPF-UHFFFAOYSA-N
Molecular formula: C19H15ClO3
Average molar mass: 326.8 g/mol
Monoisotopic mass: 326.070972

Names & identifiers

Preferred name: 3-[3-(4-Chlorophenyl)propyl]-4-hydroxynaphthalene-1,2-dione
IUPAC: 3-[3-(4-chlorophenyl)propyl]-4-hydroxynaphthalene-1,2-dione

Names & synonyms

18100-12-41,4-Naphthalenedione, 2-[3-(4-chlorophenyl)propyl]-3-hydroxy-3-[3-(4-chlorophenyl)propyl]-4-hydroxynaphthalene-1,2-dioneNSC407503SCHEMBL14050063DTXSID00324672NUIGGYAJMVTKPR-UHFFFAOYSA-NAKOS024341171NSC-4075032-[3-(4-chlorophenyl)propyl]-3-hydroxy-naphthalene-1,4-dione

Database identifiers

CAS: 18100-12-4
PubChem CID: 348263
DTXSID: DTXSID00324672

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 54.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 23
Formal charge: 0
Complexity: 503

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