3,4-dihydroxy-3-methyl-4-phenylbutan-2-one

C11H14O3 — CID 15758929

IUPAC3,4-dihydroxy-3-methyl-4-phenylbutan-2-one
SMILESCC(=O)C(C)(O)C(O)c1ccccc1
InChIInChI=1S/C11H14O3/c1-8(12)11(2,14)10(13)9-6-4-3-5-7-9/h3-7,10,13-14H,1-2H3
InChIKeyCDCSVQIBLRZFBL-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.06
Rot. Bonds3

About 3,4-dihydroxy-3-methyl-4-phenylbutan-2-one

3,4-dihydroxy-3-methyl-4-phenylbutan-2-one (PubChem CID 15758929) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3,4-dihydroxy-3-methyl-4-phenylbutan-2-one.

Molecular Properties

Compound Name3,4-dihydroxy-3-methyl-4-phenylbutan-2-one
PubChem CID15758929
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name3,4-dihydroxy-3-methyl-4-phenylbutan-2-one
SMILESCC(=O)C(C)(O)C(O)c1ccccc1
InChIInChI=1S/C11H14O3/c1-8(12)11(2,14)10(13)9-6-4-3-5-7-9/h3-7,10,13-14H,1-2H3
InChIKeyCDCSVQIBLRZFBL-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,4-dihydroxy-3-methyl-4-phenylbutan-2-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

(1S,2R)-2,3-dimethyl-1-phenylbut-3-ene-1,2-diol
CID 101475003
methyl (2S,3S)-2,3-dihydroxy-2-methyl-3-phenylpropanoate
CID 13435156
(1R,3R)-2,2-dimethyl-1,3-diphenylpropane-1,3-diol
CID 100943216
(1R,2S)-2,3,3-trimethyl-1-phenylbutane-1,2-diol
CID 10774737
2-hydroxy-2-methyl-4-oxo-3-phenylpentanoic acid
CID 134892401
(2S,3S)-2-amino-3-hydroxy-2-methyl-3-phenylpropanamide
CID 11424108
(1S)-2-amino-2-methyl-1-phenylpropan-1-ol
CID 38988546
4-methoxy-3,3-dimethyl-4-phenylbutan-2-one
CID 10420523
3-hydroxy-2-methyl-2-(methylamino)-3-phenylpropanoic acid
CID 555334
tert-butyl N-[2,3-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-diphenylbutyl]carbamate
CID 15294700
2-hydroxy-2,3-dimethyl-4,4-diphenylbutanoic acid
CID 79304394
methyl 2-acetamido-3-hydroxy-2-methyl-3-phenylpropanoate
CID 3841586

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-3-methyl-4-phenylbutan-2-one?
The IUPAC name of 3,4-dihydroxy-3-methyl-4-phenylbutan-2-one (CID 15758929) is 3,4-dihydroxy-3-methyl-4-phenylbutan-2-one.
What is the SMILES notation for 3,4-dihydroxy-3-methyl-4-phenylbutan-2-one?
The canonical SMILES for 3,4-dihydroxy-3-methyl-4-phenylbutan-2-one is CC(=O)C(C)(O)C(O)c1ccccc1.
What is the InChIKey of 3,4-dihydroxy-3-methyl-4-phenylbutan-2-one?
The InChIKey is CDCSVQIBLRZFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-8(12)11(2,14)10(13)9-6-4-3-5-7-9/h3-7,10,13-14H,1-2H3.
What are the key properties of 3,4-dihydroxy-3-methyl-4-phenylbutan-2-one?
3,4-dihydroxy-3-methyl-4-phenylbutan-2-one has a molecular weight of 194.23 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-3-methyl-4-phenylbutan-2-one is sourced from PubChem (CID 15758929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).