(2R,3R)-2-chloro-3-hydroxy-4-methyl-1-phenylpentan-1-one

C12H15ClO2 — CID 15441495

IUPAC(2R,3R)-2-chloro-3-hydroxy-4-methyl-1-phenylpentan-1-one
SMILESCC(C)[C@@H](O)[C@@H](Cl)C(=O)c1ccccc1
InChIInChI=1S/C12H15ClO2/c1-8(2)11(14)10(13)12(15)9-6-4-3-5-7-9/h3-8,10-11,14H,1-2H3/t10-,11-/m1/s1
InChIKeyUGMQFWIPOHNQFZ-GHMZBOCLSA-N
MW226.70 g/mol
LogP2.49
Rot. Bonds4

About (2R,3R)-2-chloro-3-hydroxy-4-methyl-1-phenylpentan-1-one

(2R,3R)-2-chloro-3-hydroxy-4-methyl-1-phenylpentan-1-one (PubChem CID 15441495) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is (2R,3R)-2-chloro-3-hydroxy-4-methyl-1-phenylpentan-1-one.

Molecular Properties

Compound Name(2R,3R)-2-chloro-3-hydroxy-4-methyl-1-phenylpentan-1-one
PubChem CID15441495
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name(2R,3R)-2-chloro-3-hydroxy-4-methyl-1-phenylpentan-1-one
SMILESCC(C)[C@@H](O)[C@@H](Cl)C(=O)c1ccccc1
InChIInChI=1S/C12H15ClO2/c1-8(2)11(14)10(13)12(15)9-6-4-3-5-7-9/h3-8,10-11,14H,1-2H3/t10-,11-/m1/s1
InChIKeyUGMQFWIPOHNQFZ-GHMZBOCLSA-N
XLogP2.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.70
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2R,3R)-2,3-dihydroxy-4-methyl-1-phenylpentan-1-one
CID 134995688
2-chloro-3-hydroxy-1,3-diphenylpropan-1-one
CID 12060204
(2S,3R)-2-ethyl-3-hydroxy-4-methyl-1-phenylpentan-1-one
CID 15750969
2,3-dichloro-1-phenylpentan-1-one
CID 140666488
3-hydroxy-2,4-dimethyl-1-(4-phenylphenyl)pentan-1-one
CID 134942515
(2R)-2-amino-3-methyl-1-phenylbutan-1-one
CID 23245859
2-hydroxy-1-phenyl-2-(4-propan-2-ylphenyl)ethanone
CID 23513084
3-hydroxy-2,4,4-trimethyl-1-phenylpentan-1-one
CID 13023589
(2R)-2-chloro-2-fluoro-1-phenylethanone
CID 93494146
1-phenyl-2-(trichloro-λ4-tellanyl)propan-1-one
CID 134927288
(2R,3R)-3-(4-fluorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one
CID 11414229
(2S,3R)-3-hydroxy-2-methyl-3-(4-methylphenyl)-1-phenylpropan-1-one
CID 12759347

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-chloro-3-hydroxy-4-methyl-1-phenylpentan-1-one?
The IUPAC name of (2R,3R)-2-chloro-3-hydroxy-4-methyl-1-phenylpentan-1-one (CID 15441495) is (2R,3R)-2-chloro-3-hydroxy-4-methyl-1-phenylpentan-1-one.
What is the SMILES notation for (2R,3R)-2-chloro-3-hydroxy-4-methyl-1-phenylpentan-1-one?
The canonical SMILES for (2R,3R)-2-chloro-3-hydroxy-4-methyl-1-phenylpentan-1-one is CC(C)[C@@H](O)[C@@H](Cl)C(=O)c1ccccc1.
What is the InChIKey of (2R,3R)-2-chloro-3-hydroxy-4-methyl-1-phenylpentan-1-one?
The InChIKey is UGMQFWIPOHNQFZ-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H15ClO2/c1-8(2)11(14)10(13)12(15)9-6-4-3-5-7-9/h3-8,10-11,14H,1-2H3/t10-,11-/m1/s1.
What are the key properties of (2R,3R)-2-chloro-3-hydroxy-4-methyl-1-phenylpentan-1-one?
(2R,3R)-2-chloro-3-hydroxy-4-methyl-1-phenylpentan-1-one has a molecular weight of 226.70 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-chloro-3-hydroxy-4-methyl-1-phenylpentan-1-one is sourced from PubChem (CID 15441495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).