2-[4-oxo-3-(4-phenylphenoxy)chromen-7-yl]oxyacetic acid

C23H16O6 — CID 7745073

IUPAC2-[4-oxo-3-(4-phenylphenoxy)chromen-7-yl]oxyacetic acid
SMILESO=C(O)COc1ccc2c(=O)c(Oc3ccc(-c4ccccc4)cc3)coc2c1
InChIInChI=1S/C23H16O6/c24-22(25)14-27-18-10-11-19-20(12-18)28-13-21(23(19)26)29-17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-13H,14H2,(H,24,25)
InChIKeyHVUSVQRKOAVNTA-UHFFFAOYSA-N
MW388.38 g/mol
LogP4.72
Rot. Bonds6

About 2-[4-oxo-3-(4-phenylphenoxy)chromen-7-yl]oxyacetic acid

2-[4-oxo-3-(4-phenylphenoxy)chromen-7-yl]oxyacetic acid (PubChem CID 7745073) has the molecular formula C23H16O6 and a molecular weight of 388.38 g/mol. Its IUPAC name is 2-[4-oxo-3-(4-phenylphenoxy)chromen-7-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[4-oxo-3-(4-phenylphenoxy)chromen-7-yl]oxyacetic acid
PubChem CID7745073
Molecular FormulaC23H16O6
Molecular Weight388.38 g/mol
Exact Mass388.09
IUPAC Name2-[4-oxo-3-(4-phenylphenoxy)chromen-7-yl]oxyacetic acid
SMILESO=C(O)COc1ccc2c(=O)c(Oc3ccc(-c4ccccc4)cc3)coc2c1
InChIInChI=1S/C23H16O6/c24-22(25)14-27-18-10-11-19-20(12-18)28-13-21(23(19)26)29-17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-13H,14H2,(H,24,25)
InChIKeyHVUSVQRKOAVNTA-UHFFFAOYSA-N
XLogP4.72
TPSA85.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-oxo-3-phenylchromen-7-yl)oxyacetic acid
CID 15122627
2-[3-(2,4-dimethylphenoxy)-4-oxochromen-7-yl]oxyacetic acid
CID 7745041
benzyl 2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxyacetate
CID 1182996
propyl 2-[4-oxo-3-(4-phenylphenoxy)chromen-7-yl]oxypropanoate
CID 4106290
2-(4-oxo-3-phenoxychromen-7-yl)oxypropanoic acid
CID 21180140
2-[[2-[3-(2-bromophenoxy)-4-oxochromen-7-yl]oxyacetyl]amino]acetic acid
CID 7139404
[4-oxo-3-(4-phenylphenoxy)chromen-7-yl] pyridine-3-carboxylate
CID 2245682
2-[3-(2-bromophenoxy)-4-oxochromen-7-yl]oxyacetamide
CID 2001934
methyl 2-[3-(4-tert-butylphenoxy)-4-oxochromen-7-yl]oxyacetate
CID 1033940
3-[4-oxo-3-(4-propan-2-ylphenoxy)chromen-7-yl]oxypropanoic acid
CID 22681346
methyl 3-(4-hydroxyphenyl)-2-[[2-(4-oxo-3-phenoxychromen-7-yl)oxyacetyl]amino]propanoate
CID 3769565
2-(4-oxo-3-phenoxychromen-7-yl)oxy-2-phenylacetic acid
CID 20994413

Frequently Asked Questions

What is the IUPAC name of 2-[4-oxo-3-(4-phenylphenoxy)chromen-7-yl]oxyacetic acid?
The IUPAC name of 2-[4-oxo-3-(4-phenylphenoxy)chromen-7-yl]oxyacetic acid (CID 7745073) is 2-[4-oxo-3-(4-phenylphenoxy)chromen-7-yl]oxyacetic acid.
What is the SMILES notation for 2-[4-oxo-3-(4-phenylphenoxy)chromen-7-yl]oxyacetic acid?
The canonical SMILES for 2-[4-oxo-3-(4-phenylphenoxy)chromen-7-yl]oxyacetic acid is O=C(O)COc1ccc2c(=O)c(Oc3ccc(-c4ccccc4)cc3)coc2c1.
What is the InChIKey of 2-[4-oxo-3-(4-phenylphenoxy)chromen-7-yl]oxyacetic acid?
The InChIKey is HVUSVQRKOAVNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16O6/c24-22(25)14-27-18-10-11-19-20(12-18)28-13-21(23(19)26)29-17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-13H,14H2,(H,24,25).
What are the key properties of 2-[4-oxo-3-(4-phenylphenoxy)chromen-7-yl]oxyacetic acid?
2-[4-oxo-3-(4-phenylphenoxy)chromen-7-yl]oxyacetic acid has a molecular weight of 388.38 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-oxo-3-(4-phenylphenoxy)chromen-7-yl]oxyacetic acid is sourced from PubChem (CID 7745073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).