2-phenacyloxybenzoic acid

C15H12O4 — CID 23764826

IUPAC2-phenacyloxybenzoic acid
SMILESO=C(COc1ccccc1C(=O)O)c1ccccc1
InChIInChI=1S/C15H12O4/c16-13(11-6-2-1-3-7-11)10-19-14-9-5-4-8-12(14)15(17)18/h1-9H,10H2,(H,17,18)
InChIKeyGZJCEZVBNQINDG-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.65
Rot. Bonds5

About 2-phenacyloxybenzoic acid

2-phenacyloxybenzoic acid (PubChem CID 23764826) has the molecular formula C15H12O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-phenacyloxybenzoic acid.

Molecular Properties

Compound Name2-phenacyloxybenzoic acid
PubChem CID23764826
Molecular FormulaC15H12O4
Molecular Weight256.26 g/mol
Exact Mass256.07
IUPAC Name2-phenacyloxybenzoic acid
SMILESO=C(COc1ccccc1C(=O)O)c1ccccc1
InChIInChI=1S/C15H12O4/c16-13(11-6-2-1-3-7-11)10-19-14-9-5-4-8-12(14)15(17)18/h1-9H,10H2,(H,17,18)
InChIKeyGZJCEZVBNQINDG-UHFFFAOYSA-N
XLogP2.65
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenacyloxybenzamide
CID 43218588
2-[2-(3-nitrophenyl)-2-oxoethoxy]benzoic acid
CID 23765422
2-(2-methoxy-2-oxoethoxy)benzoic acid
CID 11218054
(2-phenacyloxyphenyl) acetate
CID 2303836
2-(2,2,2-trifluoroethoxy)benzoic acid
CID 11528644
2-(4-phenacyloxyphenoxy)-1-phenylethanone
CID 962120
2-(2-ethoxy-2-oxoethoxy)benzoic acid
CID 1302464
1-phenyl-2-(2-propan-2-ylphenoxy)ethanone
CID 43413868
2-ethoxybenzoic acid;zinc
CID 172723273
2-(fluoromethoxy)benzoic acid;hydrochloride
CID 141112682
2-[2-[2-(2-carboxyphenoxy)ethoxy]ethoxy]benzoic acid
CID 2215647
2-[2-(5-ethyl-2,4-dihydroxyphenyl)-2-oxoethoxy]benzoic acid
CID 118401850

Frequently Asked Questions

What is the IUPAC name of 2-phenacyloxybenzoic acid?
The IUPAC name of 2-phenacyloxybenzoic acid (CID 23764826) is 2-phenacyloxybenzoic acid.
What is the SMILES notation for 2-phenacyloxybenzoic acid?
The canonical SMILES for 2-phenacyloxybenzoic acid is O=C(COc1ccccc1C(=O)O)c1ccccc1.
What is the InChIKey of 2-phenacyloxybenzoic acid?
The InChIKey is GZJCEZVBNQINDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O4/c16-13(11-6-2-1-3-7-11)10-19-14-9-5-4-8-12(14)15(17)18/h1-9H,10H2,(H,17,18).
What are the key properties of 2-phenacyloxybenzoic acid?
2-phenacyloxybenzoic acid has a molecular weight of 256.26 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenacyloxybenzoic acid is sourced from PubChem (CID 23764826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).