(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

Analyze (2S)-1-(2,4-dihydroxyphenyl)-2-methylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chloro-4-hydroxyphenyl)-2-methylbutan-1-one
CID 139652422
2,4-dihydroxy-N-(2-methylbutyl)benzamide
CID 107722914
1-(2,4-difluorophenyl)-2-methylbutan-1-one
CID 43160006
(2S)-2-[(2,4-dihydroxybenzoyl)amino]-3-methylpentanoic acid
CID 61174647
N-(1-bromopropan-2-yl)-2,4-dihydroxy-N-methylbenzamide
CID 107726128
1-(2-amino-4-fluorophenyl)-2-methylbutan-1-one
CID 66999008
1-(2,4-dihydroxyphenyl)-2-hydroxyethanone
CID 11715230
(2S)-1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)propan-1-one
CID 821427
(2S)-1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2-methoxyethanone
CID 162817893
2,4-dihydroxybenzoic acid
CID 1491
1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-one
CID 65313346
N-(2-aminopropyl)-2,4-dihydroxybenzamide
CID 63733125

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).