8-acetyl-7-hydroxy-6-methyl-1H,2H,3H-cyclopenta[c]chromen-4-one|8-acetyl-7-hydroxy-6-methyl-1H,2H,3H,4H-cyclopenta[c]chromen-4-one|8-acetyl-7-hydroxy-6-methyl-2,3-dihydrocyclopenta[c]chromen-4(1H)-o...

General Information

Structure

Molecular Formula

C₁₅H₁₄O₄

Molecular Mass

258.26926

Exact Mass

258.08920893

Charge

InChI

InChI=1S/C15H14O4/c1-7-13(17)11(8(2)16)6-12-9-4-3-5-10(9)15(18)19-14(7)12/h6,17H,3-5H2,1-2H3

InChIKey

BQUYQFDMAFNIJK-UHFFFAOYSA-N

Canonic Smiles

CC(=O)c1cc2c(c(c1O)C)oc(=O)c1c2CCC1

Isomeric Smiles

c12c(c3c(c(=O)o1)CCC3)cc(c(c2C)O)C(=O)C

Calculated Properties

JChem

Acid pKa

8.828111

H Acceptors

H Donor

LogD (pH = 5.5)

2.8764486

LogD (pH = 7.4)

2.8608594

Log P

2.876651

Molar Refractivity

70.4114

Polarizability

26.617018

Polar Surface Area

63.6

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

8-acetyl-7-hydroxy-6-methyl-1H,2H,3H-cyclopenta[c]chromen-4-one

IUPAC name

8-acetyl-7-hydroxy-6-methyl-1H,2H,3H,4H-cyclopenta[c]chromen-4-one

Synonyms

8-acetyl-7-hydroxy-6-methyl-2,3-dihydrocyclopenta[c]chromen-4(1H)-one

Names and Identifiers

Registration numbers

PubChem SID

162216989

PubChem CID

17571611

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

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References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

Molecule

ID:122636