(2S)-1-(2,4-dihydroxyphenyl)-2-methylbutan-1-one

C11H14O3 — CID 14716302

IUPAC(2S)-1-(2,4-dihydroxyphenyl)-2-methylbutan-1-one
SMILESCC[C@H](C)C(=O)c1ccc(O)cc1O
InChIInChI=1S/C11H14O3/c1-3-7(2)11(14)9-5-4-8(12)6-10(9)13/h4-7,12-13H,3H2,1-2H3/t7-/m0/s1
InChIKeyQLFSCFYUQUBCDE-ZETCQYMHSA-N
MW194.23 g/mol
LogP2.33
Rot. Bonds3

About (2S)-1-(2,4-dihydroxyphenyl)-2-methylbutan-1-one

(2S)-1-(2,4-dihydroxyphenyl)-2-methylbutan-1-one (PubChem CID 14716302) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (2S)-1-(2,4-dihydroxyphenyl)-2-methylbutan-1-one.

Molecular Properties

Compound Name(2S)-1-(2,4-dihydroxyphenyl)-2-methylbutan-1-one
PubChem CID14716302
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(2S)-1-(2,4-dihydroxyphenyl)-2-methylbutan-1-one
SMILESCC[C@H](C)C(=O)c1ccc(O)cc1O
InChIInChI=1S/C11H14O3/c1-3-7(2)11(14)9-5-4-8(12)6-10(9)13/h4-7,12-13H,3H2,1-2H3/t7-/m0/s1
InChIKeyQLFSCFYUQUBCDE-ZETCQYMHSA-N
XLogP2.33
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,4-dihydroxyphenyl)-2-methylbutan-1-one?
The IUPAC name of (2S)-1-(2,4-dihydroxyphenyl)-2-methylbutan-1-one (CID 14716302) is (2S)-1-(2,4-dihydroxyphenyl)-2-methylbutan-1-one.
What is the SMILES notation for (2S)-1-(2,4-dihydroxyphenyl)-2-methylbutan-1-one?
The canonical SMILES for (2S)-1-(2,4-dihydroxyphenyl)-2-methylbutan-1-one is CC[C@H](C)C(=O)c1ccc(O)cc1O.
What is the InChIKey of (2S)-1-(2,4-dihydroxyphenyl)-2-methylbutan-1-one?
The InChIKey is QLFSCFYUQUBCDE-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H14O3/c1-3-7(2)11(14)9-5-4-8(12)6-10(9)13/h4-7,12-13H,3H2,1-2H3/t7-/m0/s1.
What are the key properties of (2S)-1-(2,4-dihydroxyphenyl)-2-methylbutan-1-one?
(2S)-1-(2,4-dihydroxyphenyl)-2-methylbutan-1-one has a molecular weight of 194.23 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,4-dihydroxyphenyl)-2-methylbutan-1-one is sourced from PubChem (CID 14716302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).