2-methyl-1-[2,4,6-trihydroxy-3-(2-methylpropanoyl)phenyl]propan-1-one

C14H18O5 — CID 15659412

IUPAC2-methyl-1-[2,4,6-trihydroxy-3-(2-methylpropanoyl)phenyl]propan-1-one
SMILESCC(C)C(=O)c1c(O)cc(O)c(C(=O)C(C)C)c1O
InChIInChI=1S/C14H18O5/c1-6(2)12(17)10-8(15)5-9(16)11(14(10)19)13(18)7(3)4/h5-7,15-16,19H,1-4H3
InChIKeyRQMVHMMHNNPHEW-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.48
Rot. Bonds4

About 2-methyl-1-[2,4,6-trihydroxy-3-(2-methylpropanoyl)phenyl]propan-1-one

2-methyl-1-[2,4,6-trihydroxy-3-(2-methylpropanoyl)phenyl]propan-1-one (PubChem CID 15659412) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is 2-methyl-1-[2,4,6-trihydroxy-3-(2-methylpropanoyl)phenyl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[2,4,6-trihydroxy-3-(2-methylpropanoyl)phenyl]propan-1-one
PubChem CID15659412
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name2-methyl-1-[2,4,6-trihydroxy-3-(2-methylpropanoyl)phenyl]propan-1-one
SMILESCC(C)C(=O)c1c(O)cc(O)c(C(=O)C(C)C)c1O
InChIInChI=1S/C14H18O5/c1-6(2)12(17)10-8(15)5-9(16)11(14(10)19)13(18)7(3)4/h5-7,15-16,19H,1-4H3
InChIKeyRQMVHMMHNNPHEW-UHFFFAOYSA-N
XLogP2.48
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2,4,6-trihydroxy-3-(2-methylpropanoyl)phenyl]propan-1-one?
The IUPAC name of 2-methyl-1-[2,4,6-trihydroxy-3-(2-methylpropanoyl)phenyl]propan-1-one (CID 15659412) is 2-methyl-1-[2,4,6-trihydroxy-3-(2-methylpropanoyl)phenyl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[2,4,6-trihydroxy-3-(2-methylpropanoyl)phenyl]propan-1-one?
The canonical SMILES for 2-methyl-1-[2,4,6-trihydroxy-3-(2-methylpropanoyl)phenyl]propan-1-one is CC(C)C(=O)c1c(O)cc(O)c(C(=O)C(C)C)c1O.
What is the InChIKey of 2-methyl-1-[2,4,6-trihydroxy-3-(2-methylpropanoyl)phenyl]propan-1-one?
The InChIKey is RQMVHMMHNNPHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-6(2)12(17)10-8(15)5-9(16)11(14(10)19)13(18)7(3)4/h5-7,15-16,19H,1-4H3.
What are the key properties of 2-methyl-1-[2,4,6-trihydroxy-3-(2-methylpropanoyl)phenyl]propan-1-one?
2-methyl-1-[2,4,6-trihydroxy-3-(2-methylpropanoyl)phenyl]propan-1-one has a molecular weight of 266.29 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2,4,6-trihydroxy-3-(2-methylpropanoyl)phenyl]propan-1-one is sourced from PubChem (CID 15659412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).