7-[2-Hydroxy-3-(propylamino)propoxy]-2,3-dihydrocyclopenta[c]chromen-4(1H)-one

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Basic information

CAS: 84229-49-2
Standard SMILES: CCCNCC(O)COc1ccc2c3c(c(=O)oc2c1)CCC3
InChIKey: MDRIKKUAZCPOBY-UHFFFAOYSA-N
Molecular formula: C18H23NO4
Average molar mass: 317.4 g/mol
Monoisotopic mass: 317.16270821

Names & identifiers

Preferred name: 7-[2-Hydroxy-3-(propylamino)propoxy]-2,3-dihydrocyclopenta[c]chromen-4(1H)-one
IUPAC: 7-[2-hydroxy-3-(propylamino)propoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one

Names & synonyms

84229-49-2NSC378572NSC 3785727-[2-Hydroxy-3-(propylamino)propoxy]-2,3-dihydrocyclopenta[c]chromen-4(1H)-one7-(2-Hydroxy-3-(propylamino)propoxy)-2,3-dihydrocyclopenta(c)chromen-4(1H)-one7-[2-hydroxy-3-(propylamino)propoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-oneDTXSID501128771NSC-3785722,3-Dihydro-7-[2-hydroxy-3-(propylamino)propoxy]cyclopenta[c][1]benzopyran-4(1H)-one7-[2-Hydroxy-3-(propylamino)propoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one

Database identifiers

CAS: 84229-49-2
PubChem CID: 342283
DTXSID: DTXSID501128771

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 67.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 23
Formal charge: 0
Complexity: 462

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Compound notes

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