butan-2-yl 2-ethoxy-2-phenylacetate

C14H20O3 — CID 118039785

IUPACbutan-2-yl 2-ethoxy-2-phenylacetate
SMILESCCOC(C(=O)OC(C)CC)c1ccccc1
InChIInChI=1S/C14H20O3/c1-4-11(3)17-14(15)13(16-5-2)12-9-7-6-8-10-12/h6-11,13H,4-5H2,1-3H3
InChIKeyKCTAZIURLIVMHL-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.11
Rot. Bonds6

About butan-2-yl 2-ethoxy-2-phenylacetate

butan-2-yl 2-ethoxy-2-phenylacetate (PubChem CID 118039785) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is butan-2-yl 2-ethoxy-2-phenylacetate.

Molecular Properties

Compound Namebutan-2-yl 2-ethoxy-2-phenylacetate
PubChem CID118039785
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Namebutan-2-yl 2-ethoxy-2-phenylacetate
SMILESCCOC(C(=O)OC(C)CC)c1ccccc1
InChIInChI=1S/C14H20O3/c1-4-11(3)17-14(15)13(16-5-2)12-9-7-6-8-10-12/h6-11,13H,4-5H2,1-3H3
InChIKeyKCTAZIURLIVMHL-UHFFFAOYSA-N
XLogP3.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze butan-2-yl 2-ethoxy-2-phenylacetate 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

butan-2-yl 2-amino-2-phenylacetate;hydrochloride
CID 139951083
2-ethoxy-1,2-diphenylethanone;propane
CID 174923231
butan-2-yl 2-methylidene-3-phenylpentanoate
CID 174904170
(2-butan-2-yloxy-1-phenylethyl) ethyl carbonate
CID 118088530
ethyl (2S)-2-phenylpropanoate
CID 7204861
1-ethoxy-1-phenylpent-4-yn-2-one
CID 116751695
2-ethoxy-N-[2-(methylamino)ethyl]-2-phenylacetamide;hydrochloride
CID 119500210
ethyl 2-(2-ethoxy-2-phenylacetyl)benzoate
CID 141031593
2-[(2-ethoxy-2-phenylacetyl)-methylamino]propanoic acid
CID 119359065
ethyl (2S)-2-[(1S)-2-ethoxy-2-oxo-1-phenylethoxy]-2-phenylacetate
CID 129391195
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-ethoxy-2-phenylacetamide;hydrochloride
CID 119525446
ethyl 2-(2,2-difluoroethoxy)-2-phenylacetate
CID 106676848

Frequently Asked Questions

What is the IUPAC name of butan-2-yl 2-ethoxy-2-phenylacetate?
The IUPAC name of butan-2-yl 2-ethoxy-2-phenylacetate (CID 118039785) is butan-2-yl 2-ethoxy-2-phenylacetate.
What is the SMILES notation for butan-2-yl 2-ethoxy-2-phenylacetate?
The canonical SMILES for butan-2-yl 2-ethoxy-2-phenylacetate is CCOC(C(=O)OC(C)CC)c1ccccc1.
What is the InChIKey of butan-2-yl 2-ethoxy-2-phenylacetate?
The InChIKey is KCTAZIURLIVMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-4-11(3)17-14(15)13(16-5-2)12-9-7-6-8-10-12/h6-11,13H,4-5H2,1-3H3.
What are the key properties of butan-2-yl 2-ethoxy-2-phenylacetate?
butan-2-yl 2-ethoxy-2-phenylacetate has a molecular weight of 236.31 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl 2-ethoxy-2-phenylacetate is sourced from PubChem (CID 118039785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).