ethyl 2-(2-ethoxy-2-phenylacetyl)benzoate

C19H20O4 — CID 141031593

IUPACethyl 2-(2-ethoxy-2-phenylacetyl)benzoate
SMILESCCOC(=O)c1ccccc1C(=O)C(OCC)c1ccccc1
InChIInChI=1S/C19H20O4/c1-3-22-18(14-10-6-5-7-11-14)17(20)15-12-8-9-13-16(15)19(21)23-4-2/h5-13,18H,3-4H2,1-2H3
InChIKeyUPOMBTXHQXECDO-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.82
Rot. Bonds7

About ethyl 2-(2-ethoxy-2-phenylacetyl)benzoate

ethyl 2-(2-ethoxy-2-phenylacetyl)benzoate (PubChem CID 141031593) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is ethyl 2-(2-ethoxy-2-phenylacetyl)benzoate.

Molecular Properties

Compound Nameethyl 2-(2-ethoxy-2-phenylacetyl)benzoate
PubChem CID141031593
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Nameethyl 2-(2-ethoxy-2-phenylacetyl)benzoate
SMILESCCOC(=O)c1ccccc1C(=O)C(OCC)c1ccccc1
InChIInChI=1S/C19H20O4/c1-3-22-18(14-10-6-5-7-11-14)17(20)15-12-8-9-13-16(15)19(21)23-4-2/h5-13,18H,3-4H2,1-2H3
InChIKeyUPOMBTXHQXECDO-UHFFFAOYSA-N
XLogP3.82
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(2-ethoxy-2-phenylacetyl)benzoate 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

2-ethoxy-1,2-diphenylethanone;propane
CID 174923231
1-(2,5-difluorophenyl)-2-ethoxy-2-phenylethanone
CID 116751709
1-(2-chloro-5-fluorophenyl)-2-ethoxy-2-phenylethanone
CID 105394415
barium(2+);2-ethoxycarbonylbenzoic acid;hydride
CID 174858684
ethene;2-ethoxycarbonylbenzoic acid
CID 159652266
2-O-amino 1-O-ethyl benzene-1,2-dicarboxylate
CID 154139708
diethyl benzene-1,2-dicarboxylate;1-phosphanylethanone
CID 174959063
1-(2-amino-5-chloro-3-pyridinyl)-2-ethoxy-2-phenylethanone
CID 116751757
ethyl 2-(2-ethoxycarbonylphenoxy)benzoate
CID 142800670
diethyl benzene-1,2-dicarboxylate;isocyanic acid
CID 174879507
ethyl (2S)-2-[(1S)-2-ethoxy-2-oxo-1-phenylethoxy]-2-phenylacetate
CID 129391195
ethyl 2-(3-methylbuta-1,3-dien-2-yl)benzoate
CID 10512902

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethoxy-2-phenylacetyl)benzoate?
The IUPAC name of ethyl 2-(2-ethoxy-2-phenylacetyl)benzoate (CID 141031593) is ethyl 2-(2-ethoxy-2-phenylacetyl)benzoate.
What is the SMILES notation for ethyl 2-(2-ethoxy-2-phenylacetyl)benzoate?
The canonical SMILES for ethyl 2-(2-ethoxy-2-phenylacetyl)benzoate is CCOC(=O)c1ccccc1C(=O)C(OCC)c1ccccc1.
What is the InChIKey of ethyl 2-(2-ethoxy-2-phenylacetyl)benzoate?
The InChIKey is UPOMBTXHQXECDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4/c1-3-22-18(14-10-6-5-7-11-14)17(20)15-12-8-9-13-16(15)19(21)23-4-2/h5-13,18H,3-4H2,1-2H3.
What are the key properties of ethyl 2-(2-ethoxy-2-phenylacetyl)benzoate?
ethyl 2-(2-ethoxy-2-phenylacetyl)benzoate has a molecular weight of 312.37 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethoxy-2-phenylacetyl)benzoate is sourced from PubChem (CID 141031593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).