[(2R)-2-hydroxy-2-phenylethyl] propanoate

C11H14O3 — CID 10442612

IUPAC[(2R)-2-hydroxy-2-phenylethyl] propanoate
SMILESCCC(=O)OC[C@H](O)c1ccccc1
InChIInChI=1S/C11H14O3/c1-2-11(13)14-8-10(12)9-6-4-3-5-7-9/h3-7,10,12H,2,8H2,1H3/t10-/m0/s1
InChIKeyFFYYFERLDCVSLB-JTQLQIEISA-N
MW194.23 g/mol
LogP1.67
Rot. Bonds4

About [(2R)-2-hydroxy-2-phenylethyl] propanoate

[(2R)-2-hydroxy-2-phenylethyl] propanoate (PubChem CID 10442612) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is [(2R)-2-hydroxy-2-phenylethyl] propanoate.

Molecular Properties

Compound Name[(2R)-2-hydroxy-2-phenylethyl] propanoate
PubChem CID10442612
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name[(2R)-2-hydroxy-2-phenylethyl] propanoate
SMILESCCC(=O)OC[C@H](O)c1ccccc1
InChIInChI=1S/C11H14O3/c1-2-11(13)14-8-10(12)9-6-4-3-5-7-9/h3-7,10,12H,2,8H2,1H3/t10-/m0/s1
InChIKeyFFYYFERLDCVSLB-JTQLQIEISA-N
XLogP1.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-3-oxo-2-phenylpropyl) propanoate
CID 150567545
ethyl (3S)-3-hydroxy-3-phenylpropanoate
CID 853697
propyl (3S)-3-hydroxy-3-phenylpropanoate
CID 102185519
2-methylpropyl 4-hydroxy-4-phenylbutanoate
CID 67925302
benzene;2-methoxy-1-phenylethanol
CID 174622919
ethyl (3R,5S)-3,5-dihydroxy-5-phenylpentanoate
CID 23239477
(2-hydroxy-2-phenylethyl) 2,4,6-tri(propan-2-yl)benzoate
CID 25271023
ethyl 2-[(2-hydroxy-2-phenylethyl)amino]acetate
CID 43393105
2-(2-ethylphenoxy)-1-phenylethanol
CID 60731173
ethyl 3-[4-[(2R)-2-(cyclodecapentaenyl)-2-hydroxyethoxy]phenyl]propanoate
CID 144781228
methyl 4-(2-hydroxy-2-phenylethoxy)cyclohexane-1-carboxylate
CID 114450819
2-(3,3-diphenylpropylamino)ethyl propanoate
CID 163926617

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-hydroxy-2-phenylethyl] propanoate?
The IUPAC name of [(2R)-2-hydroxy-2-phenylethyl] propanoate (CID 10442612) is [(2R)-2-hydroxy-2-phenylethyl] propanoate.
What is the SMILES notation for [(2R)-2-hydroxy-2-phenylethyl] propanoate?
The canonical SMILES for [(2R)-2-hydroxy-2-phenylethyl] propanoate is CCC(=O)OC[C@H](O)c1ccccc1.
What is the InChIKey of [(2R)-2-hydroxy-2-phenylethyl] propanoate?
The InChIKey is FFYYFERLDCVSLB-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14O3/c1-2-11(13)14-8-10(12)9-6-4-3-5-7-9/h3-7,10,12H,2,8H2,1H3/t10-/m0/s1.
What are the key properties of [(2R)-2-hydroxy-2-phenylethyl] propanoate?
[(2R)-2-hydroxy-2-phenylethyl] propanoate has a molecular weight of 194.23 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-hydroxy-2-phenylethyl] propanoate is sourced from PubChem (CID 10442612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).