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8-(cyclopentyloxy)-4-hydroxy-7-methoxy-2H-chromen-2-one

HCID 77174792
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
COc1ccc2c(O)cc(=O)oc2c1OC1CCCC1
InChIKey
KYLLFKKPBDXJHZ-UHFFFAOYSA-N
Molecular formula
C15H16O5
Average molar mass
276.28 g/mol

Names & identifiers

Preferred name
8-(cyclopentyloxy)-4-hydroxy-7-methoxy-2H-chromen-2-one
IUPAC
8-cyclopentyloxy-4-hydroxy-7-methoxychromen-2-one

Names & synonyms

1001056-79-6SCHEMBL36784928-(cyclopentyloxy)-4-hydroxy-7-methoxy-2H-chromen-2-oneKYLLFKKPBDXJHZ-UHFFFAOYSA-NDB-058290

Database identifiers

PubChem CID
77174792

Properties

Computed structural propertiesFilling in

XLogP
2.5
Topological polar surface area
65 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
20
Formal charge
0
Complexity
399

Related reactions

7 records
New reaction record
HRID 20626 reaction equation
HRID 20626As productuspto-grants-2010_06
HRID 20627 reaction equation
HRID 20627As reactantuspto-grants-2010_06
HRID 20630 reaction equation
HRID 20630As reactantuspto-grants-2010_06
HRID 20634 reaction equation
HRID 20634As reactantuspto-grants-2010_06
HRID 149881 reaction equation
HRID 149881As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 806447 reaction equation
HRID 806447As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 1544514 reaction equation
HRID 1544514As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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