(4R,5R)-5-hydroxy-4-methyl-5-phenylhexan-3-one

C13H18O2 — CID 13299690

IUPAC(4R,5R)-5-hydroxy-4-methyl-5-phenylhexan-3-one
SMILESCCC(=O)[C@H](C)[C@@](C)(O)c1ccccc1
InChIInChI=1S/C13H18O2/c1-4-12(14)10(2)13(3,15)11-8-6-5-7-9-11/h5-10,15H,4H2,1-3H3/t10-,13+/m0/s1
InChIKeyUWMMLVJAFQGRTC-GXFFZTMASA-N
MW206.29 g/mol
LogP2.51
Rot. Bonds4

About (4R,5R)-5-hydroxy-4-methyl-5-phenylhexan-3-one

(4R,5R)-5-hydroxy-4-methyl-5-phenylhexan-3-one (PubChem CID 13299690) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is (4R,5R)-5-hydroxy-4-methyl-5-phenylhexan-3-one.

Molecular Properties

Compound Name(4R,5R)-5-hydroxy-4-methyl-5-phenylhexan-3-one
PubChem CID13299690
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name(4R,5R)-5-hydroxy-4-methyl-5-phenylhexan-3-one
SMILESCCC(=O)[C@H](C)[C@@](C)(O)c1ccccc1
InChIInChI=1S/C13H18O2/c1-4-12(14)10(2)13(3,15)11-8-6-5-7-9-11/h5-10,15H,4H2,1-3H3/t10-,13+/m0/s1
InChIKeyUWMMLVJAFQGRTC-GXFFZTMASA-N
XLogP2.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4R,5R)-5-hydroxy-4-methyl-5-phenylhexan-3-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

3-methyl-2-phenylpentan-2-ol
CID 13024634
2-methyl-N-(3-oxopentan-2-yl)-2-phenylpropanamide
CID 64991894
3-hydroxy-2-methyl-3-phenylbutanal
CID 140584728
2-fluoro-3-hydroxy-3-phenylbutanoic acid
CID 79367352
ethyl (2R,3S)-2-bromo-3-hydroxy-3-phenylbutanoate
CID 11500207
2,2-diphenylpentan-3-one
CID 70793023
1,1-dihydroxy-1-phenylbutan-2-one
CID 162740160
2,3-dimethyl-3-phenylbutanoic acid;2-methyl-2-phenylpentan-3-one
CID 159710699
(3S,4R)-3-amino-4-hydroxy-4-phenylpentan-2-one
CID 122674877
propanoate;trimethyl(trityl)phosphanium
CID 18355979
2-hydroxy-2-phenylhexan-3-one
CID 3696245
2,2,3-trimethyl-4-oxohexanoic acid
CID 88507803

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-hydroxy-4-methyl-5-phenylhexan-3-one?
The IUPAC name of (4R,5R)-5-hydroxy-4-methyl-5-phenylhexan-3-one (CID 13299690) is (4R,5R)-5-hydroxy-4-methyl-5-phenylhexan-3-one.
What is the SMILES notation for (4R,5R)-5-hydroxy-4-methyl-5-phenylhexan-3-one?
The canonical SMILES for (4R,5R)-5-hydroxy-4-methyl-5-phenylhexan-3-one is CCC(=O)[C@H](C)[C@@](C)(O)c1ccccc1.
What is the InChIKey of (4R,5R)-5-hydroxy-4-methyl-5-phenylhexan-3-one?
The InChIKey is UWMMLVJAFQGRTC-GXFFZTMASA-N. The full InChI is InChI=1S/C13H18O2/c1-4-12(14)10(2)13(3,15)11-8-6-5-7-9-11/h5-10,15H,4H2,1-3H3/t10-,13+/m0/s1.
What are the key properties of (4R,5R)-5-hydroxy-4-methyl-5-phenylhexan-3-one?
(4R,5R)-5-hydroxy-4-methyl-5-phenylhexan-3-one has a molecular weight of 206.29 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-hydroxy-4-methyl-5-phenylhexan-3-one is sourced from PubChem (CID 13299690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).