1-(3-acetyl-2,4,6-trihydroxyphenyl)ethanone

C10H10O5 — CID 16547

IUPAC1-(3-acetyl-2,4,6-trihydroxyphenyl)ethanone
SMILESCC(=O)c1c(O)cc(O)c(C(C)=O)c1O
InChIInChI=1S/C10H10O5/c1-4(11)8-6(13)3-7(14)9(5(2)12)10(8)15/h3,13-15H,1-2H3
InChIKeyPIFFQYJYNWXNGE-UHFFFAOYSA-N
MW210.18 g/mol
LogP1.21
Rot. Bonds2

About 1-(3-acetyl-2,4,6-trihydroxyphenyl)ethanone

1-(3-acetyl-2,4,6-trihydroxyphenyl)ethanone (PubChem CID 16547) has the molecular formula C10H10O5 and a molecular weight of 210.18 g/mol. Its IUPAC name is 1-(3-acetyl-2,4,6-trihydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3-acetyl-2,4,6-trihydroxyphenyl)ethanone
PubChem CID16547
Molecular FormulaC10H10O5
Molecular Weight210.18 g/mol
Exact Mass210.05
IUPAC Name1-(3-acetyl-2,4,6-trihydroxyphenyl)ethanone
SMILESCC(=O)c1c(O)cc(O)c(C(C)=O)c1O
InChIInChI=1S/C10H10O5/c1-4(11)8-6(13)3-7(14)9(5(2)12)10(8)15/h3,13-15H,1-2H3
InChIKeyPIFFQYJYNWXNGE-UHFFFAOYSA-N
XLogP1.21
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Phloretin
CID 4788
Paeonol
CID 11092
2,4,6-Trihydroxybenzoic acid
CID 66520
2,2',4,4'-Tetrahydroxybenzophenone
CID 8571
2,4-Dihydroxybenzoic Acid
CID 1491
Isoliquiritigenin
CID 638278
2,4-Dihydroxybenzophenone
CID 8572
Cannabidiolic acid
CID 160570
2',4,4',6'-Tetrahydroxychalcone
CID 5280960
2',4',6'-Trihydroxyacetophenone
CID 68073
2',4'-Dihydroxyacetophenone
CID 6990
2',4',5'-Trihydroxybutyrophenone
CID 15008

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetyl-2,4,6-trihydroxyphenyl)ethanone?
The IUPAC name of 1-(3-acetyl-2,4,6-trihydroxyphenyl)ethanone (CID 16547) is 1-(3-acetyl-2,4,6-trihydroxyphenyl)ethanone.
What is the SMILES notation for 1-(3-acetyl-2,4,6-trihydroxyphenyl)ethanone?
The canonical SMILES for 1-(3-acetyl-2,4,6-trihydroxyphenyl)ethanone is CC(=O)c1c(O)cc(O)c(C(C)=O)c1O.
What is the InChIKey of 1-(3-acetyl-2,4,6-trihydroxyphenyl)ethanone?
The InChIKey is PIFFQYJYNWXNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O5/c1-4(11)8-6(13)3-7(14)9(5(2)12)10(8)15/h3,13-15H,1-2H3.
What are the key properties of 1-(3-acetyl-2,4,6-trihydroxyphenyl)ethanone?
1-(3-acetyl-2,4,6-trihydroxyphenyl)ethanone has a molecular weight of 210.18 g/mol, XLogP of 1.21, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetyl-2,4,6-trihydroxyphenyl)ethanone is sourced from PubChem (CID 16547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).