ethyl 2-ethoxy-4-phenylbenzoate

C17H18O3 — CID 22494159

IUPACethyl 2-ethoxy-4-phenylbenzoate
SMILESCCOC(=O)c1ccc(-c2ccccc2)cc1OCC
InChIInChI=1S/C17H18O3/c1-3-19-16-12-14(13-8-6-5-7-9-13)10-11-15(16)17(18)20-4-2/h5-12H,3-4H2,1-2H3
InChIKeyWTVDJKHLVBVLAO-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.93
Rot. Bonds5

About ethyl 2-ethoxy-4-phenylbenzoate

ethyl 2-ethoxy-4-phenylbenzoate (PubChem CID 22494159) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is ethyl 2-ethoxy-4-phenylbenzoate.

Molecular Properties

Compound Nameethyl 2-ethoxy-4-phenylbenzoate
PubChem CID22494159
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Nameethyl 2-ethoxy-4-phenylbenzoate
SMILESCCOC(=O)c1ccc(-c2ccccc2)cc1OCC
InChIInChI=1S/C17H18O3/c1-3-19-16-12-14(13-8-6-5-7-9-13)10-11-15(16)17(18)20-4-2/h5-12H,3-4H2,1-2H3
InChIKeyWTVDJKHLVBVLAO-UHFFFAOYSA-N
XLogP3.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-carbamoyl-2-ethoxybenzoate
CID 132570188
2-(3-ethoxy-4-ethoxycarbonylphenyl)pyrimidine-4-carboxylic acid
CID 145227831
ethyl 4-azulen-2-ylbenzoate
CID 122206706
[2-oxo-2-(4-phenylphenyl)ethyl] 2-ethoxybenzoate
CID 7758309
ethyl 4-(6-chloropyrimidin-4-yl)-2-ethoxybenzoate
CID 135333692
ethyl 2-[2-(2-bromo-4-phenylphenoxy)acetyl]oxybenzoate
CID 23012588
ethyl 2-(trifluoromethoxy)-4-[3-(trifluoromethoxy)phenyl]benzoate
CID 134632735
ethyl 2,5-dimethyl-3,4-diphenylbenzoate
CID 102473305
2-ethoxy-N-(1-hydroxy-2-pyridinylidene)-4-phenylbenzamide
CID 141383175
benzyl 2-ethoxy-4-iodobenzoate
CID 154376302
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
ethyl 4-(2-chloropropanoyl)-2-ethoxybenzoate
CID 134642958

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethoxy-4-phenylbenzoate?
The IUPAC name of ethyl 2-ethoxy-4-phenylbenzoate (CID 22494159) is ethyl 2-ethoxy-4-phenylbenzoate.
What is the SMILES notation for ethyl 2-ethoxy-4-phenylbenzoate?
The canonical SMILES for ethyl 2-ethoxy-4-phenylbenzoate is CCOC(=O)c1ccc(-c2ccccc2)cc1OCC.
What is the InChIKey of ethyl 2-ethoxy-4-phenylbenzoate?
The InChIKey is WTVDJKHLVBVLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-3-19-16-12-14(13-8-6-5-7-9-13)10-11-15(16)17(18)20-4-2/h5-12H,3-4H2,1-2H3.
What are the key properties of ethyl 2-ethoxy-4-phenylbenzoate?
ethyl 2-ethoxy-4-phenylbenzoate has a molecular weight of 270.33 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethoxy-4-phenylbenzoate is sourced from PubChem (CID 22494159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).