ethyl 2-hydroxy-2-phenylacetate;methane;dihydrochloride

C11H18Cl2O3 — CID 174768847

IUPACethyl 2-hydroxy-2-phenylacetate;methane;dihydrochloride
SMILESC.CCOC(=O)C(O)c1ccccc1.Cl.Cl
InChIInChI=1S/C10H12O3.CH4.2ClH/c1-2-13-10(12)9(11)8-6-4-3-5-7-8;;;/h3-7,9,11H,2H2,1H3;1H4;2*1H
InChIKeyRJCYRMBYNGYRGZ-UHFFFAOYSA-N
MW269.17 g/mol
LogP2.76
Rot. Bonds3

About ethyl 2-hydroxy-2-phenylacetate;methane;dihydrochloride

ethyl 2-hydroxy-2-phenylacetate;methane;dihydrochloride (PubChem CID 174768847) has the molecular formula C11H18Cl2O3 and a molecular weight of 269.17 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-phenylacetate;methane;dihydrochloride.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-phenylacetate;methane;dihydrochloride
PubChem CID174768847
Molecular FormulaC11H18Cl2O3
Molecular Weight269.17 g/mol
Exact Mass268.06
IUPAC Nameethyl 2-hydroxy-2-phenylacetate;methane;dihydrochloride
SMILESC.CCOC(=O)C(O)c1ccccc1.Cl.Cl
InChIInChI=1S/C10H12O3.CH4.2ClH/c1-2-13-10(12)9(11)8-6-4-3-5-7-8;;;/h3-7,9,11H,2H2,1H3;1H4;2*1H
InChIKeyRJCYRMBYNGYRGZ-UHFFFAOYSA-N
XLogP2.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-hydroxy-2-phenylacetate
CID 90673198
sodium;ethyl 2-hydroxy-2-phenylacetate;hydride
CID 175364908
ethyl (2R)-2-hydroxy-2-(4-phenylphenyl)acetate
CID 885195
pentyl (2R)-2-hydroxy-2-phenylacetate
CID 67071786
ethyl (2R)-2-hydroxy-2-(4-propan-2-ylphenyl)acetate
CID 12717588
ethyl (2S,3S)-2-amino-3-hydroxy-3-phenylpropanoate;hydrochloride
CID 166438818
ethyl 2-amino-3-hydroxy-3-phenylpropanoate;hydrochloride
CID 12748096
3-ethoxy-3-oxo-2-phenylpropanoic acid;hydrochloride
CID 70417854
ethyl (2S)-2-(4-bromophenyl)-2-hydroxyacetate
CID 94376499
ethyl (2S)-2-(4-chlorophenyl)-2-hydroxyacetate
CID 93047913
ethyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate
CID 10013279
chloromethyl 2-hydroxy-2-phenylacetate
CID 123324758

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-phenylacetate;methane;dihydrochloride?
The IUPAC name of ethyl 2-hydroxy-2-phenylacetate;methane;dihydrochloride (CID 174768847) is ethyl 2-hydroxy-2-phenylacetate;methane;dihydrochloride.
What is the SMILES notation for ethyl 2-hydroxy-2-phenylacetate;methane;dihydrochloride?
The canonical SMILES for ethyl 2-hydroxy-2-phenylacetate;methane;dihydrochloride is C.CCOC(=O)C(O)c1ccccc1.Cl.Cl.
What is the InChIKey of ethyl 2-hydroxy-2-phenylacetate;methane;dihydrochloride?
The InChIKey is RJCYRMBYNGYRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3.CH4.2ClH/c1-2-13-10(12)9(11)8-6-4-3-5-7-8;;;/h3-7,9,11H,2H2,1H3;1H4;2*1H.
What are the key properties of ethyl 2-hydroxy-2-phenylacetate;methane;dihydrochloride?
ethyl 2-hydroxy-2-phenylacetate;methane;dihydrochloride has a molecular weight of 269.17 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-phenylacetate;methane;dihydrochloride is sourced from PubChem (CID 174768847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).