methyl 3-hydroxy-5-phenylpentanoate

C12H16O3 — CID 15941197

IUPACmethyl 3-hydroxy-5-phenylpentanoate
SMILESCOC(=O)CC(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
InChIKeyKNYMCTRGOYSAIR-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.54
Rot. Bonds5

About methyl 3-hydroxy-5-phenylpentanoate

methyl 3-hydroxy-5-phenylpentanoate (PubChem CID 15941197) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is methyl 3-hydroxy-5-phenylpentanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-5-phenylpentanoate
PubChem CID15941197
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Namemethyl 3-hydroxy-5-phenylpentanoate
SMILESCOC(=O)CC(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
InChIKeyKNYMCTRGOYSAIR-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-5-phenylpentanoate?
The IUPAC name of methyl 3-hydroxy-5-phenylpentanoate (CID 15941197) is methyl 3-hydroxy-5-phenylpentanoate.
What is the SMILES notation for methyl 3-hydroxy-5-phenylpentanoate?
The canonical SMILES for methyl 3-hydroxy-5-phenylpentanoate is COC(=O)CC(O)CCc1ccccc1.
What is the InChIKey of methyl 3-hydroxy-5-phenylpentanoate?
The InChIKey is KNYMCTRGOYSAIR-UHFFFAOYSA-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.
What are the key properties of methyl 3-hydroxy-5-phenylpentanoate?
methyl 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 3-hydroxy-5-phenylpentanoate is sourced from PubChem (CID 15941197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).