(2S,3S)-3-(2-chlorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one

C16H15ClO2 — CID 11846439

IUPAC(2S,3S)-3-(2-chlorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one
SMILESC[C@H](C(=O)c1ccccc1)[C@H](O)c1ccccc1Cl
InChIInChI=1S/C16H15ClO2/c1-11(15(18)12-7-3-2-4-8-12)16(19)13-9-5-6-10-14(13)17/h2-11,16,19H,1H3/t11-,16+/m1/s1
InChIKeyOLLBCGGRDNMIMJ-BZNIZROVSA-N
MW274.75 g/mol
LogP3.89
Rot. Bonds4

About (2S,3S)-3-(2-chlorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one

(2S,3S)-3-(2-chlorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one (PubChem CID 11846439) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is (2S,3S)-3-(2-chlorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one.

Molecular Properties

Compound Name(2S,3S)-3-(2-chlorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one
PubChem CID11846439
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Name(2S,3S)-3-(2-chlorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one
SMILESC[C@H](C(=O)c1ccccc1)[C@H](O)c1ccccc1Cl
InChIInChI=1S/C16H15ClO2/c1-11(15(18)12-7-3-2-4-8-12)16(19)13-9-5-6-10-14(13)17/h2-11,16,19H,1H3/t11-,16+/m1/s1
InChIKeyOLLBCGGRDNMIMJ-BZNIZROVSA-N
XLogP3.89
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-2,3-dimethylbutan-1-ol
CID 114980469
(1S,2R)-1-(2-chlorophenyl)propane-1,2-diol
CID 66634039
1-(2-chlorophenyl)propane-1,2-diol;ethane
CID 144705754
3-(2-chlorophenyl)-2-methylbutanoic acid
CID 81008605
(2S,3R)-3-hydroxy-2-methyl-3-(4-methylphenyl)-1-phenylpropan-1-one
CID 12759347
(2R,3R)-3-(4-fluorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one
CID 11414229
(2S,3R)-2-(2-chlorophenyl)-3-hydroxybutanoic acid
CID 156875772
2-amino-3-(2-chlorophenyl)-3-hydroxypropanoic acid
CID 66206959
tert-butyl-[(1R,2S)-1-(2-chlorophenyl)-1-hydroxypropan-2-yl]carbamic acid
CID 66812753
2-(2-chlorophenyl)-1,4-diphenylbutane-1,4-dione
CID 6710164
3,4-dihydroxy-2-methyl-1-phenylbutan-1-one
CID 53424893
3-hydroxy-2,4,4-trimethyl-1-phenylpentan-1-one
CID 13023589

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-(2-chlorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one?
The IUPAC name of (2S,3S)-3-(2-chlorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one (CID 11846439) is (2S,3S)-3-(2-chlorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one.
What is the SMILES notation for (2S,3S)-3-(2-chlorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one?
The canonical SMILES for (2S,3S)-3-(2-chlorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one is C[C@H](C(=O)c1ccccc1)[C@H](O)c1ccccc1Cl.
What is the InChIKey of (2S,3S)-3-(2-chlorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one?
The InChIKey is OLLBCGGRDNMIMJ-BZNIZROVSA-N. The full InChI is InChI=1S/C16H15ClO2/c1-11(15(18)12-7-3-2-4-8-12)16(19)13-9-5-6-10-14(13)17/h2-11,16,19H,1H3/t11-,16+/m1/s1.
What are the key properties of (2S,3S)-3-(2-chlorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one?
(2S,3S)-3-(2-chlorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one has a molecular weight of 274.75 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-(2-chlorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one is sourced from PubChem (CID 11846439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).