(2S)-2-hydroxy-4,4-dimethyl-2-phenylpentan-3-one

C13H18O2 — CID 13275946

IUPAC(2S)-2-hydroxy-4,4-dimethyl-2-phenylpentan-3-one
SMILESCC(C)(C)C(=O)[C@@](C)(O)c1ccccc1
InChIInChI=1S/C13H18O2/c1-12(2,3)11(14)13(4,15)10-8-6-5-7-9-10/h5-9,15H,1-4H3/t13-/m0/s1
InChIKeyZXPZFRZPVSBCRE-ZDUSSCGKSA-N
MW206.28 g/mol
LogP2.51
Rot. Bonds2

About (2S)-2-hydroxy-4,4-dimethyl-2-phenylpentan-3-one

(2S)-2-hydroxy-4,4-dimethyl-2-phenylpentan-3-one (PubChem CID 13275946) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is (2S)-2-hydroxy-4,4-dimethyl-2-phenylpentan-3-one.

Molecular Properties

Compound Name(2S)-2-hydroxy-4,4-dimethyl-2-phenylpentan-3-one
PubChem CID13275946
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name(2S)-2-hydroxy-4,4-dimethyl-2-phenylpentan-3-one
SMILESCC(C)(C)C(=O)[C@@](C)(O)c1ccccc1
InChIInChI=1S/C13H18O2/c1-12(2,3)11(14)13(4,15)10-8-6-5-7-9-10/h5-9,15H,1-4H3/t13-/m0/s1
InChIKeyZXPZFRZPVSBCRE-ZDUSSCGKSA-N
XLogP2.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-hydroxy-2-phenylpropanoic acid
CID 736858
2-hydroxy-N,N-dimethyl-2-phenylpropanamide
CID 121216825
(2S)-2-hydroxy-2-phenylpropanoate
CID 6932633
2-hydroxy-2-methylpropanoic acid;2-hydroxy-2-phenylpropanoic acid
CID 70572731
methyl 2-hydroxy-4,4-dimethyl-3-oxo-2-phenylpentanoate
CID 24976781
ethane;2-hydroxy-2,2-diphenylacetic acid
CID 143307418
1-hydroxy-3,3-dimethyl-1-phenyl-1-trimethylsilyloxybutan-2-one
CID 56998630
3-hydroxy-1,1,3-triphenylbutan-2-one
CID 102141893
2-hydroxy-2-phenylhexan-3-one
CID 3696245
(2R)-3-methyl-2-phenylbut-3-en-2-ol
CID 102163421
(2S)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-2-hydroxy-2-phenylpropanamide
CID 58533163
4-hydroxy-2-methyl-3-oxo-4-phenylpentanal
CID 175067613

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-4,4-dimethyl-2-phenylpentan-3-one?
The IUPAC name of (2S)-2-hydroxy-4,4-dimethyl-2-phenylpentan-3-one (CID 13275946) is (2S)-2-hydroxy-4,4-dimethyl-2-phenylpentan-3-one.
What is the SMILES notation for (2S)-2-hydroxy-4,4-dimethyl-2-phenylpentan-3-one?
The canonical SMILES for (2S)-2-hydroxy-4,4-dimethyl-2-phenylpentan-3-one is CC(C)(C)C(=O)[C@@](C)(O)c1ccccc1.
What is the InChIKey of (2S)-2-hydroxy-4,4-dimethyl-2-phenylpentan-3-one?
The InChIKey is ZXPZFRZPVSBCRE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H18O2/c1-12(2,3)11(14)13(4,15)10-8-6-5-7-9-10/h5-9,15H,1-4H3/t13-/m0/s1.
What are the key properties of (2S)-2-hydroxy-4,4-dimethyl-2-phenylpentan-3-one?
(2S)-2-hydroxy-4,4-dimethyl-2-phenylpentan-3-one has a molecular weight of 206.28 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-4,4-dimethyl-2-phenylpentan-3-one is sourced from PubChem (CID 13275946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).