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

C12H16O3 — CID 25209922

IUPACmethyl (5S)-5-hydroxy-5-phenylpentanoate
SMILESCOC(=O)CCC[C@H](O)c1ccccc1
InChIInChI=1S/C12H16O3/c1-15-12(14)9-5-8-11(13)10-6-3-2-4-7-10/h2-4,6-7,11,13H,5,8-9H2,1H3/t11-/m0/s1
InChIKeyHOGIOKMCGZJACN-NSHDSACASA-N
MW208.26 g/mol
LogP2.06
Rot. Bonds5

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

methyl (5S)-5-hydroxy-5-phenylpentanoate (PubChem CID 25209922) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is methyl (5S)-5-hydroxy-5-phenylpentanoate.

Molecular Properties

Compound Namemethyl (5S)-5-hydroxy-5-phenylpentanoate
PubChem CID25209922
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Namemethyl (5S)-5-hydroxy-5-phenylpentanoate
SMILESCOC(=O)CCC[C@H](O)c1ccccc1
InChIInChI=1S/C12H16O3/c1-15-12(14)9-5-8-11(13)10-6-3-2-4-7-10/h2-4,6-7,11,13H,5,8-9H2,1H3/t11-/m0/s1
InChIKeyHOGIOKMCGZJACN-NSHDSACASA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 8-hydroxy-8-phenyloctanoate
CID 139616789
methyl 5,5-diphenylpentanoate
CID 10923549
methyl 5-anilino-5-phenylpentanoate
CID 11818425
methyl 5-hydroxy-5-[4-(2-methylpropyl)phenyl]pentanoate
CID 82347165
(4-methoxy-4-oxobutyl)-triphenylphosphanium
CID 11015715
methyl 8-methoxy-8-phenyloctanoate
CID 170851952
methyl 7-amino-7-phenylheptanoate
CID 139616773
methyl (2R,3R)-2-deuterio-3-hydroxy-3-phenylpropanoate
CID 25241509
ethyl-(5-methoxy-5-oxo-1-phenylpentyl)-propan-2-ylsulfanium
CID 140759653
dimethyl (3R)-3-[[(1S)-1-phenylethyl]amino]heptanedioate
CID 11822956
(5-methoxy-5-oxopentyl)-triphenylphosphanium
CID 3630851
methyl 5-hydroxy-3-oxo-5-phenylpentanoate
CID 11020460

Frequently Asked Questions

What is the IUPAC name of methyl (5S)-5-hydroxy-5-phenylpentanoate?
The IUPAC name of methyl (5S)-5-hydroxy-5-phenylpentanoate (CID 25209922) is methyl (5S)-5-hydroxy-5-phenylpentanoate.
What is the SMILES notation for methyl (5S)-5-hydroxy-5-phenylpentanoate?
The canonical SMILES for methyl (5S)-5-hydroxy-5-phenylpentanoate is COC(=O)CCC[C@H](O)c1ccccc1.
What is the InChIKey of methyl (5S)-5-hydroxy-5-phenylpentanoate?
The InChIKey is HOGIOKMCGZJACN-NSHDSACASA-N. The full InChI is InChI=1S/C12H16O3/c1-15-12(14)9-5-8-11(13)10-6-3-2-4-7-10/h2-4,6-7,11,13H,5,8-9H2,1H3/t11-/m0/s1.
What are the key properties of methyl (5S)-5-hydroxy-5-phenylpentanoate?
methyl (5S)-5-hydroxy-5-phenylpentanoate has a molecular weight of 208.26 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5S)-5-hydroxy-5-phenylpentanoate is sourced from PubChem (CID 25209922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).