methyl (3S)-3-hydroxy-5-phenylpentanoate

C12H16O3 — CID 11745842

IUPACmethyl (3S)-3-hydroxy-5-phenylpentanoate
SMILESCOC(=O)C[C@@H](O)CCc1ccccc1
InChIInChI=1S/C12H16O3/c1-15-12(14)9-11(13)8-7-10-5-3-2-4-6-10/h2-6,11,13H,7-9H2,1H3/t11-/m0/s1
InChIKeyKNYMCTRGOYSAIR-NSHDSACASA-N
MW208.26 g/mol
LogP1.54
Rot. Bonds5

About methyl (3S)-3-hydroxy-5-phenylpentanoate

methyl (3S)-3-hydroxy-5-phenylpentanoate (PubChem CID 11745842) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is methyl (3S)-3-hydroxy-5-phenylpentanoate.

Molecular Properties

Compound Namemethyl (3S)-3-hydroxy-5-phenylpentanoate
PubChem CID11745842
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Namemethyl (3S)-3-hydroxy-5-phenylpentanoate
SMILESCOC(=O)C[C@@H](O)CCc1ccccc1
InChIInChI=1S/C12H16O3/c1-15-12(14)9-11(13)8-7-10-5-3-2-4-6-10/h2-6,11,13H,7-9H2,1H3/t11-/m0/s1
InChIKeyKNYMCTRGOYSAIR-NSHDSACASA-N
XLogP1.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-O-benzyl 1-O-methyl 3-hydroxyhexanedioate
CID 24978294
trimethyl 2-(2-phenylethyl)propane-1,1,3-tricarboxylate
CID 101233884
methyl (3R)-4-benzylsulfanyl-3-hydroxybutanoate
CID 111112332
4-hydroxy-1,6-diphenylhexan-2-one
CID 24881473
methyl (2R)-2-hydroxy-4-phenylbutanoate
CID 10878023
methyl 3-hydroxy-7-phenoxyheptanoate
CID 18767528
(2R)-2-(2-methoxy-2-oxoethyl)-6-phenylhexanoic acid
CID 67881897
methyl (3S)-5-phenyl-3-[[(1R)-1-phenylethyl]amino]pentanoate
CID 70071367
methyl (3R)-3-(2-phenylethyl)decanoate
CID 102157695
tert-butyl 3-hydroxy-5-(4-phenylphenyl)pentanoate
CID 11624016
methyl (3S)-3-hydroxy-5-oxo-5-phenylpentanoate
CID 45113502
6-hydroxy-8-phenyloct-2-en-4-one
CID 71376619

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-hydroxy-5-phenylpentanoate?
The IUPAC name of methyl (3S)-3-hydroxy-5-phenylpentanoate (CID 11745842) is methyl (3S)-3-hydroxy-5-phenylpentanoate.
What is the SMILES notation for methyl (3S)-3-hydroxy-5-phenylpentanoate?
The canonical SMILES for methyl (3S)-3-hydroxy-5-phenylpentanoate is COC(=O)C[C@@H](O)CCc1ccccc1.
What is the InChIKey of methyl (3S)-3-hydroxy-5-phenylpentanoate?
The InChIKey is KNYMCTRGOYSAIR-NSHDSACASA-N. The full InChI is InChI=1S/C12H16O3/c1-15-12(14)9-11(13)8-7-10-5-3-2-4-6-10/h2-6,11,13H,7-9H2,1H3/t11-/m0/s1.
What are the key properties of methyl (3S)-3-hydroxy-5-phenylpentanoate?
methyl (3S)-3-hydroxy-5-phenylpentanoate has a molecular weight of 208.26 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-hydroxy-5-phenylpentanoate is sourced from PubChem (CID 11745842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).