ethyl (3R)-3-hydroxy-3-methyl-5-phenylpentanoate

C14H20O3 — CID 155931906

IUPACethyl (3R)-3-hydroxy-3-methyl-5-phenylpentanoate
SMILESCCOC(=O)C[C@](C)(O)CCc1ccccc1
InChIInChI=1S/C14H20O3/c1-3-17-13(15)11-14(2,16)10-9-12-7-5-4-6-8-12/h4-8,16H,3,9-11H2,1-2H3/t14-/m1/s1
InChIKeyYWDODIGQFZJVMR-CQSZACIVSA-N
MW236.31 g/mol
LogP2.32
Rot. Bonds6

About ethyl (3R)-3-hydroxy-3-methyl-5-phenylpentanoate

ethyl (3R)-3-hydroxy-3-methyl-5-phenylpentanoate (PubChem CID 155931906) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is ethyl (3R)-3-hydroxy-3-methyl-5-phenylpentanoate.

Molecular Properties

Compound Nameethyl (3R)-3-hydroxy-3-methyl-5-phenylpentanoate
PubChem CID155931906
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Nameethyl (3R)-3-hydroxy-3-methyl-5-phenylpentanoate
SMILESCCOC(=O)C[C@](C)(O)CCc1ccccc1
InChIInChI=1S/C14H20O3/c1-3-17-13(15)11-14(2,16)10-9-12-7-5-4-6-8-12/h4-8,16H,3,9-11H2,1-2H3/t14-/m1/s1
InChIKeyYWDODIGQFZJVMR-CQSZACIVSA-N
XLogP2.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-4-methyl-6-phenylhexan-2-one
CID 101034765
ethyl 3-hydroxy-2,2,3-trimethyl-5-phenylpentanoate
CID 62398393
diethyl 2-amino-2-(2-phenylethyl)propanedioate
CID 142661399
(3-hydroxy-3-methyl-5-phenylpentyl) acetate
CID 14382134
ethyl 3,3-dimethyl-5-(4-methylphenyl)pentanoate
CID 158053687
ethyl 2-cyano-2-hydroxy-4-phenylbutanoate
CID 139254749
ethyl 3-hydroxy-3,6-dimethylheptanoate
CID 62395041
diethyl 2-[(3-hydroxy-3-methyl-5-phenylpentyl)amino]nonanedioate
CID 20531207
ethyl 3-[4-(3-hydroxy-3-methylbutyl)phenyl]propanoate
CID 156698914
1-O-benzyl 4-O-ethyl (2S)-2-amino-2-methylbutanedioate
CID 101047093
ethyl 3-hydroxy-3,7-dimethyloctanoate
CID 3020061
ethyl 2-phenylacetate
CID 7590

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-hydroxy-3-methyl-5-phenylpentanoate?
The IUPAC name of ethyl (3R)-3-hydroxy-3-methyl-5-phenylpentanoate (CID 155931906) is ethyl (3R)-3-hydroxy-3-methyl-5-phenylpentanoate.
What is the SMILES notation for ethyl (3R)-3-hydroxy-3-methyl-5-phenylpentanoate?
The canonical SMILES for ethyl (3R)-3-hydroxy-3-methyl-5-phenylpentanoate is CCOC(=O)C[C@](C)(O)CCc1ccccc1.
What is the InChIKey of ethyl (3R)-3-hydroxy-3-methyl-5-phenylpentanoate?
The InChIKey is YWDODIGQFZJVMR-CQSZACIVSA-N. The full InChI is InChI=1S/C14H20O3/c1-3-17-13(15)11-14(2,16)10-9-12-7-5-4-6-8-12/h4-8,16H,3,9-11H2,1-2H3/t14-/m1/s1.
What are the key properties of ethyl (3R)-3-hydroxy-3-methyl-5-phenylpentanoate?
ethyl (3R)-3-hydroxy-3-methyl-5-phenylpentanoate has a molecular weight of 236.31 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-hydroxy-3-methyl-5-phenylpentanoate is sourced from PubChem (CID 155931906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).