ethyl 2-(2-ethoxycarbonylphenoxy)benzoate

C18H18O5 — CID 142800670

IUPACethyl 2-(2-ethoxycarbonylphenoxy)benzoate
SMILESCCOC(=O)c1ccccc1Oc1ccccc1C(=O)OCC
InChIInChI=1S/C18H18O5/c1-3-21-17(19)13-9-5-7-11-15(13)23-16-12-8-6-10-14(16)18(20)22-4-2/h5-12H,3-4H2,1-2H3
InChIKeyYOWVRQQTUDWTRS-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.83
Rot. Bonds6

About ethyl 2-(2-ethoxycarbonylphenoxy)benzoate

ethyl 2-(2-ethoxycarbonylphenoxy)benzoate (PubChem CID 142800670) has the molecular formula C18H18O5 and a molecular weight of 314.34 g/mol. Its IUPAC name is ethyl 2-(2-ethoxycarbonylphenoxy)benzoate.

Molecular Properties

Compound Nameethyl 2-(2-ethoxycarbonylphenoxy)benzoate
PubChem CID142800670
Molecular FormulaC18H18O5
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Nameethyl 2-(2-ethoxycarbonylphenoxy)benzoate
SMILESCCOC(=O)c1ccccc1Oc1ccccc1C(=O)OCC
InChIInChI=1S/C18H18O5/c1-3-21-17(19)13-9-5-7-11-15(13)23-16-12-8-6-10-14(16)18(20)22-4-2/h5-12H,3-4H2,1-2H3
InChIKeyYOWVRQQTUDWTRS-UHFFFAOYSA-N
XLogP3.83
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 23464800
ethyl 2-acetyloxybenzoate;hydrochloride
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ethyl 2-prop-1-enoxybenzoate
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ethyl 2-(2,2-dimethylpropanoyloxy)benzoate
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ethyl 2-(3-methoxypropoxy)benzoate
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ethyl 2-(2-fluorobenzoyl)oxybenzoate
CID 23011835
2-O-amino 1-O-ethyl benzene-1,2-dicarboxylate
CID 154139708
diethyl benzene-1,2-dicarboxylate;1-phosphanylethanone
CID 174959063
ethyl 2-[3-(trifluoromethyl)phenoxy]benzoate
CID 133061108
ethyl 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 10448213
ethyl 2-[(4-methylphenyl)methoxy]benzoate
CID 82186194

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethoxycarbonylphenoxy)benzoate?
The IUPAC name of ethyl 2-(2-ethoxycarbonylphenoxy)benzoate (CID 142800670) is ethyl 2-(2-ethoxycarbonylphenoxy)benzoate.
What is the SMILES notation for ethyl 2-(2-ethoxycarbonylphenoxy)benzoate?
The canonical SMILES for ethyl 2-(2-ethoxycarbonylphenoxy)benzoate is CCOC(=O)c1ccccc1Oc1ccccc1C(=O)OCC.
What is the InChIKey of ethyl 2-(2-ethoxycarbonylphenoxy)benzoate?
The InChIKey is YOWVRQQTUDWTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O5/c1-3-21-17(19)13-9-5-7-11-15(13)23-16-12-8-6-10-14(16)18(20)22-4-2/h5-12H,3-4H2,1-2H3.
What are the key properties of ethyl 2-(2-ethoxycarbonylphenoxy)benzoate?
ethyl 2-(2-ethoxycarbonylphenoxy)benzoate has a molecular weight of 314.34 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethoxycarbonylphenoxy)benzoate is sourced from PubChem (CID 142800670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).