2-(4-oxo-3-phenylchromen-7-yl)oxyacetic acid

C17H12O5 — CID 15122627

IUPAC2-(4-oxo-3-phenylchromen-7-yl)oxyacetic acid
SMILESO=C(O)COc1ccc2c(=O)c(-c3ccccc3)coc2c1
InChIInChI=1S/C17H12O5/c18-16(19)10-21-12-6-7-13-15(8-12)22-9-14(17(13)20)11-4-2-1-3-5-11/h1-9H,10H2,(H,18,19)
InChIKeyAGGJQSYPGCJGDW-UHFFFAOYSA-N
MW296.28 g/mol
LogP2.92
Rot. Bonds4

About 2-(4-oxo-3-phenylchromen-7-yl)oxyacetic acid

2-(4-oxo-3-phenylchromen-7-yl)oxyacetic acid (PubChem CID 15122627) has the molecular formula C17H12O5 and a molecular weight of 296.28 g/mol. Its IUPAC name is 2-(4-oxo-3-phenylchromen-7-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(4-oxo-3-phenylchromen-7-yl)oxyacetic acid
PubChem CID15122627
Molecular FormulaC17H12O5
Molecular Weight296.28 g/mol
Exact Mass296.07
IUPAC Name2-(4-oxo-3-phenylchromen-7-yl)oxyacetic acid
SMILESO=C(O)COc1ccc2c(=O)c(-c3ccccc3)coc2c1
InChIInChI=1S/C17H12O5/c18-16(19)10-21-12-6-7-13-15(8-12)22-9-14(17(13)20)11-4-2-1-3-5-11/h1-9H,10H2,(H,18,19)
InChIKeyAGGJQSYPGCJGDW-UHFFFAOYSA-N
XLogP2.92
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-oxo-3-phenylchromen-7-yl) 2-phenoxyacetate
CID 8913011
6-(4-oxo-3-phenylchromen-7-yl)oxyhexanoic acid
CID 54129732
N-cyclopropyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 7641759
2-[4-oxo-3-(4-phenylphenoxy)chromen-7-yl]oxyacetic acid
CID 7745073
N-benzyl-N-methyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 2421773
(4-oxo-3-phenylchromen-7-yl) 2-(3-methylphenoxy)acetate
CID 8913102
N-cyclopentyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 7641790
2-[4-[7-(cyclohexylmethoxy)-4-oxochromen-3-yl]phenoxy]acetic acid
CID 142669564
N-(4-fluorophenyl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 1191267
3-phenyl-7-(2-phenylethoxy)chromen-4-one
CID 23878926
N-(1-hydroxy-3-methylbutan-2-yl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 45371498
2-(4-oxo-3-phenylchromen-7-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide
CID 7641806

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-3-phenylchromen-7-yl)oxyacetic acid?
The IUPAC name of 2-(4-oxo-3-phenylchromen-7-yl)oxyacetic acid (CID 15122627) is 2-(4-oxo-3-phenylchromen-7-yl)oxyacetic acid.
What is the SMILES notation for 2-(4-oxo-3-phenylchromen-7-yl)oxyacetic acid?
The canonical SMILES for 2-(4-oxo-3-phenylchromen-7-yl)oxyacetic acid is O=C(O)COc1ccc2c(=O)c(-c3ccccc3)coc2c1.
What is the InChIKey of 2-(4-oxo-3-phenylchromen-7-yl)oxyacetic acid?
The InChIKey is AGGJQSYPGCJGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O5/c18-16(19)10-21-12-6-7-13-15(8-12)22-9-14(17(13)20)11-4-2-1-3-5-11/h1-9H,10H2,(H,18,19).
What are the key properties of 2-(4-oxo-3-phenylchromen-7-yl)oxyacetic acid?
2-(4-oxo-3-phenylchromen-7-yl)oxyacetic acid has a molecular weight of 296.28 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-3-phenylchromen-7-yl)oxyacetic acid is sourced from PubChem (CID 15122627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).