phenyl 2-(2-oxoethoxy)benzoate

C15H12O4 — CID 54027293

IUPACphenyl 2-(2-oxoethoxy)benzoate
SMILESO=CCOc1ccccc1C(=O)Oc1ccccc1
InChIInChI=1S/C15H12O4/c16-10-11-18-14-9-5-4-8-13(14)15(17)19-12-6-2-1-3-7-12/h1-10H,11H2
InChIKeyHLFADQJSGVYDGW-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.48
Rot. Bonds5

About phenyl 2-(2-oxoethoxy)benzoate

phenyl 2-(2-oxoethoxy)benzoate (PubChem CID 54027293) has the molecular formula C15H12O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is phenyl 2-(2-oxoethoxy)benzoate.

Molecular Properties

Compound Namephenyl 2-(2-oxoethoxy)benzoate
PubChem CID54027293
Molecular FormulaC15H12O4
Molecular Weight256.26 g/mol
Exact Mass256.07
IUPAC Namephenyl 2-(2-oxoethoxy)benzoate
SMILESO=CCOc1ccccc1C(=O)Oc1ccccc1
InChIInChI=1S/C15H12O4/c16-10-11-18-14-9-5-4-8-13(14)15(17)19-12-6-2-1-3-7-12/h1-10H,11H2
InChIKeyHLFADQJSGVYDGW-UHFFFAOYSA-N
XLogP2.48
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

2-(2-oxoethoxy)benzamide
CID 21273663
phenyl 2-phenoxybenzoate
CID 2471273
phenyl 2-prop-2-enoyloxybenzoate
CID 10858474
3-(2-oxoethoxy)-2-phenoxybenzoic acid
CID 88992897
[4-(2-methylprop-2-enoyloxy)phenyl] 2-prop-2-enoxybenzoate
CID 18368742
phenyl 2-(1,2-dihydroxyethoxy)benzoate
CID 19438474
phenyl 2-butanoyloxybenzoate
CID 174960462
(4-benzoylphenyl) 2-ethoxybenzoate
CID 1234623
2-prop-2-enoxybenzenecarboperoxoic acid
CID 88627610
(4-acetamidophenyl) 2-(2-phenoxyethoxy)benzoate
CID 23012077
phenyl 2-methylbenzoate;phenyl 2-[(2-methylpropan-2-yl)oxymethoxy]benzoate
CID 91489741
phenyl 2-(1-hydroxypropoxy)benzoate
CID 70565841

Frequently Asked Questions

What is the IUPAC name of phenyl 2-(2-oxoethoxy)benzoate?
The IUPAC name of phenyl 2-(2-oxoethoxy)benzoate (CID 54027293) is phenyl 2-(2-oxoethoxy)benzoate.
What is the SMILES notation for phenyl 2-(2-oxoethoxy)benzoate?
The canonical SMILES for phenyl 2-(2-oxoethoxy)benzoate is O=CCOc1ccccc1C(=O)Oc1ccccc1.
What is the InChIKey of phenyl 2-(2-oxoethoxy)benzoate?
The InChIKey is HLFADQJSGVYDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O4/c16-10-11-18-14-9-5-4-8-13(14)15(17)19-12-6-2-1-3-7-12/h1-10H,11H2.
What are the key properties of phenyl 2-(2-oxoethoxy)benzoate?
phenyl 2-(2-oxoethoxy)benzoate has a molecular weight of 256.26 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-(2-oxoethoxy)benzoate is sourced from PubChem (CID 54027293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).