3-(2-oxoethoxy)-2-phenoxybenzoic acid

C15H12O5 — CID 88992897

IUPAC3-(2-oxoethoxy)-2-phenoxybenzoic acid
SMILESO=CCOc1cccc(C(=O)O)c1Oc1ccccc1
InChIInChI=1S/C15H12O5/c16-9-10-19-13-8-4-7-12(15(17)18)14(13)20-11-5-2-1-3-6-11/h1-9H,10H2,(H,17,18)
InChIKeyMWSOIRITXNJDJE-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.75
Rot. Bonds6

About 3-(2-oxoethoxy)-2-phenoxybenzoic acid

3-(2-oxoethoxy)-2-phenoxybenzoic acid (PubChem CID 88992897) has the molecular formula C15H12O5 and a molecular weight of 272.26 g/mol. Its IUPAC name is 3-(2-oxoethoxy)-2-phenoxybenzoic acid.

Molecular Properties

Compound Name3-(2-oxoethoxy)-2-phenoxybenzoic acid
PubChem CID88992897
Molecular FormulaC15H12O5
Molecular Weight272.26 g/mol
Exact Mass272.07
IUPAC Name3-(2-oxoethoxy)-2-phenoxybenzoic acid
SMILESO=CCOc1cccc(C(=O)O)c1Oc1ccccc1
InChIInChI=1S/C15H12O5/c16-9-10-19-13-8-4-7-12(15(17)18)14(13)20-11-5-2-1-3-6-11/h1-9H,10H2,(H,17,18)
InChIKeyMWSOIRITXNJDJE-UHFFFAOYSA-N
XLogP2.75
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-phenoxy-3-propoxybenzoic acid
CID 67826110
phenyl 2-(2-oxoethoxy)benzoate
CID 54027293
3-hydroxy-2-phenoxybenzoic acid
CID 53406644
2,3-diphenoxybenzoic acid;heptane-3,5-diol
CID 175439246
2-(2-oxoethoxy)benzamide
CID 21273663
2-phenoxy-3-phenoxycarbonylbenzoic acid
CID 141175877
2-phenoxy-3-prop-1-enylbenzoic acid
CID 174630451
2,3-bis(iodomethoxy)benzoic acid
CID 89109362
2-prop-2-enoxybenzoic acid;hydrochloride
CID 70025071
CID 70191473
CID 70191473
benzoic acid;2-phenoxybenzoic acid
CID 160712085
2-(4-formylphenoxy)benzoic acid
CID 19374993

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxoethoxy)-2-phenoxybenzoic acid?
The IUPAC name of 3-(2-oxoethoxy)-2-phenoxybenzoic acid (CID 88992897) is 3-(2-oxoethoxy)-2-phenoxybenzoic acid.
What is the SMILES notation for 3-(2-oxoethoxy)-2-phenoxybenzoic acid?
The canonical SMILES for 3-(2-oxoethoxy)-2-phenoxybenzoic acid is O=CCOc1cccc(C(=O)O)c1Oc1ccccc1.
What is the InChIKey of 3-(2-oxoethoxy)-2-phenoxybenzoic acid?
The InChIKey is MWSOIRITXNJDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O5/c16-9-10-19-13-8-4-7-12(15(17)18)14(13)20-11-5-2-1-3-6-11/h1-9H,10H2,(H,17,18).
What are the key properties of 3-(2-oxoethoxy)-2-phenoxybenzoic acid?
3-(2-oxoethoxy)-2-phenoxybenzoic acid has a molecular weight of 272.26 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxoethoxy)-2-phenoxybenzoic acid is sourced from PubChem (CID 88992897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).