methyl 2-ethyl-2-[(R)-hydroxy(phenyl)methyl]butanoate

C14H20O3 — CID 10561798

IUPACmethyl 2-ethyl-2-[(R)-hydroxy(phenyl)methyl]butanoate
SMILESCCC(CC)(C(=O)OC)[C@H](O)c1ccccc1
InChIInChI=1S/C14H20O3/c1-4-14(5-2,13(16)17-3)12(15)11-9-7-6-8-10-11/h6-10,12,15H,4-5H2,1-3H3/t12-/m1/s1
InChIKeyGGJGHTOWVAFCOU-GFCCVEGCSA-N
MW236.31 g/mol
LogP2.70
Rot. Bonds5

About methyl 2-ethyl-2-[(R)-hydroxy(phenyl)methyl]butanoate

methyl 2-ethyl-2-[(R)-hydroxy(phenyl)methyl]butanoate (PubChem CID 10561798) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is methyl 2-ethyl-2-[(R)-hydroxy(phenyl)methyl]butanoate.

Molecular Properties

Compound Namemethyl 2-ethyl-2-[(R)-hydroxy(phenyl)methyl]butanoate
PubChem CID10561798
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Namemethyl 2-ethyl-2-[(R)-hydroxy(phenyl)methyl]butanoate
SMILESCCC(CC)(C(=O)OC)[C@H](O)c1ccccc1
InChIInChI=1S/C14H20O3/c1-4-14(5-2,13(16)17-3)12(15)11-9-7-6-8-10-11/h6-10,12,15H,4-5H2,1-3H3/t12-/m1/s1
InChIKeyGGJGHTOWVAFCOU-GFCCVEGCSA-N
XLogP2.70
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S,3S)-2,3-dihydroxy-2-methyl-3-phenylpropanoate
CID 13435156
methyl 2-chloro-2-[hydroxy(phenyl)methyl]hexanoate
CID 10707211
methyl 2-acetamido-3-hydroxy-2-methyl-3-phenylpropanoate
CID 3841586
methyl 2,2,3-trimethyl-4-phenylhexanoate
CID 155280423
methyl (2S)-2-[(S)-hydroxy(pyridin-2-yl)methyl]-2-phenylbutanoate
CID 71662848
methyl 3-amino-2,2-dimethyl-3-phenylpropanoate;hydrochloride
CID 14426986
ethyl (2S,3S)-2-bromo-2-fluoro-3-hydroxy-3-phenylpropanoate
CID 101158378
2,2-difluoro-1-phenylbutan-1-ol
CID 15783630
methyl 2-methyl-2-phenylbutanoate
CID 562613
methyl 2,2-dimethyl-3-(1-phenylpropylamino)propanoate
CID 79623966
methyl 2-benzoyl-2-fluorobutanoate
CID 169171309
methyl 2-methyl-2-[(3-methyl-1-phenylbutyl)amino]propanoate
CID 43725966

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-2-[(R)-hydroxy(phenyl)methyl]butanoate?
The IUPAC name of methyl 2-ethyl-2-[(R)-hydroxy(phenyl)methyl]butanoate (CID 10561798) is methyl 2-ethyl-2-[(R)-hydroxy(phenyl)methyl]butanoate.
What is the SMILES notation for methyl 2-ethyl-2-[(R)-hydroxy(phenyl)methyl]butanoate?
The canonical SMILES for methyl 2-ethyl-2-[(R)-hydroxy(phenyl)methyl]butanoate is CCC(CC)(C(=O)OC)[C@H](O)c1ccccc1.
What is the InChIKey of methyl 2-ethyl-2-[(R)-hydroxy(phenyl)methyl]butanoate?
The InChIKey is GGJGHTOWVAFCOU-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20O3/c1-4-14(5-2,13(16)17-3)12(15)11-9-7-6-8-10-11/h6-10,12,15H,4-5H2,1-3H3/t12-/m1/s1.
What are the key properties of methyl 2-ethyl-2-[(R)-hydroxy(phenyl)methyl]butanoate?
methyl 2-ethyl-2-[(R)-hydroxy(phenyl)methyl]butanoate has a molecular weight of 236.31 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-2-[(R)-hydroxy(phenyl)methyl]butanoate is sourced from PubChem (CID 10561798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).