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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Related Compounds

2-methyl-1-(3,4,5-trihydroxyphenyl)propan-1-one
CID 162169030
3-methyl-1-[2,4,6-trihydroxy-3-(3-methylbutanoyl)phenyl]butan-1-one
CID 15659413
1-(3-chloro-6-hydroxy-2,4-dimethylphenyl)-2-methylpropan-1-one
CID 62379205
4-methyl-6-[2,4,6-trihydroxy-3-(2-methylpropanoyl)phenyl]hex-4-enoic acid
CID 152693178
1-(3,5-dibromo-4-hydroxyphenyl)-2-methylpropan-1-one
CID 81252335
(2S)-2-amino-1-(2,4,6-trihydroxyphenyl)propan-1-one
CID 118469870
1-[2-[(2,6-dichlorophenyl)methoxy]-4,6-dihydroxyphenyl]-2-methylpropan-1-one
CID 134145001
diethyl 2,4,6-trihydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1,3-dicarboxylate
CID 169437924
1-(2-chloro-3,4,6-trihydroxyphenyl)-2-(4-hydroxyphenyl)propan-1-one
CID 10308487
(2,3,4,6-tetrahydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone
CID 146550128
2-chloro-1-(2,6-dihydroxyphenyl)propan-1-one
CID 130826367
1-(3-amino-4-hydroxyphenyl)-2-methylpropan-1-one
CID 82064058

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).