ethyl 2-hydroxy-2-phenylmethoxypropanoate

C12H16O4 — CID 18454908

IUPACethyl 2-hydroxy-2-phenylmethoxypropanoate
SMILESCCOC(=O)C(C)(O)OCc1ccccc1
InChIInChI=1S/C12H16O4/c1-3-15-11(13)12(2,14)16-9-10-7-5-4-6-8-10/h4-8,14H,3,9H2,1-2H3
InChIKeyBWWVOQIQNXWXHL-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.47
Rot. Bonds5

About ethyl 2-hydroxy-2-phenylmethoxypropanoate

ethyl 2-hydroxy-2-phenylmethoxypropanoate (PubChem CID 18454908) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-phenylmethoxypropanoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-phenylmethoxypropanoate
PubChem CID18454908
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Nameethyl 2-hydroxy-2-phenylmethoxypropanoate
SMILESCCOC(=O)C(C)(O)OCc1ccccc1
InChIInChI=1S/C12H16O4/c1-3-15-11(13)12(2,14)16-9-10-7-5-4-6-8-10/h4-8,14H,3,9H2,1-2H3
InChIKeyBWWVOQIQNXWXHL-UHFFFAOYSA-N
XLogP1.47
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze ethyl 2-hydroxy-2-phenylmethoxypropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethyl 2-methyl-2-[(4-phenylphenyl)methoxy]propanedioate
CID 67230867
1-O-benzyl 4-O-ethyl (2S)-2-amino-2-methylbutanedioate
CID 101047093
ethyl 2-chloro-3-oxo-2-phenylmethoxyhexanoate
CID 141166754
ethyl 2-hydroxy-2-propoxypropanoate
CID 100919605
3-O-benzyl 1-O-ethyl 2,2-dipropylpropanedioate
CID 175178749
benzyl 2-amino-2-hydroxypropanoate
CID 67630480
2-bromo-3-methyl-3-phenylmethoxybutanoic acid
CID 129074020
ethyl 3-hydroxy-2,2,3-trimethyl-5-phenylpentanoate
CID 62398393
ethyl (2R)-2-[(2S)-1-acetylpiperidin-2-yl]-2-phenylmethoxypropanoate
CID 11186640
2-methyl-2-phenylmethoxybutanoic acid
CID 14683642
ethyl (2S)-2-methyl-3-oxo-3-(2,2,3,3,3-pentafluoropropylamino)-2-phenylmethoxypropanoate
CID 122367679
ethyl 2-methyl-2-[4-(phenoxymethyl)phenoxy]propanoate
CID 154100490

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-phenylmethoxypropanoate?
The IUPAC name of ethyl 2-hydroxy-2-phenylmethoxypropanoate (CID 18454908) is ethyl 2-hydroxy-2-phenylmethoxypropanoate.
What is the SMILES notation for ethyl 2-hydroxy-2-phenylmethoxypropanoate?
The canonical SMILES for ethyl 2-hydroxy-2-phenylmethoxypropanoate is CCOC(=O)C(C)(O)OCc1ccccc1.
What is the InChIKey of ethyl 2-hydroxy-2-phenylmethoxypropanoate?
The InChIKey is BWWVOQIQNXWXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-3-15-11(13)12(2,14)16-9-10-7-5-4-6-8-10/h4-8,14H,3,9H2,1-2H3.
What are the key properties of ethyl 2-hydroxy-2-phenylmethoxypropanoate?
ethyl 2-hydroxy-2-phenylmethoxypropanoate has a molecular weight of 224.26 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-phenylmethoxypropanoate is sourced from PubChem (CID 18454908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).