2-(4-oxo-3-phenoxychromen-7-yl)oxy-2-phenylacetic acid

C23H16O6 — CID 20994413

IUPAC2-(4-oxo-3-phenoxychromen-7-yl)oxy-2-phenylacetic acid
SMILESO=C(O)C(Oc1ccc2c(=O)c(Oc3ccccc3)coc2c1)c1ccccc1
InChIInChI=1S/C23H16O6/c24-21-18-12-11-17(29-22(23(25)26)15-7-3-1-4-8-15)13-19(18)27-14-20(21)28-16-9-5-2-6-10-16/h1-14,22H,(H,25,26)
InChIKeyNLNNHZUDBQOQPH-UHFFFAOYSA-N
MW388.38 g/mol
LogP4.79
Rot. Bonds6

About 2-(4-oxo-3-phenoxychromen-7-yl)oxy-2-phenylacetic acid

2-(4-oxo-3-phenoxychromen-7-yl)oxy-2-phenylacetic acid (PubChem CID 20994413) has the molecular formula C23H16O6 and a molecular weight of 388.38 g/mol. Its IUPAC name is 2-(4-oxo-3-phenoxychromen-7-yl)oxy-2-phenylacetic acid.

Molecular Properties

Compound Name2-(4-oxo-3-phenoxychromen-7-yl)oxy-2-phenylacetic acid
PubChem CID20994413
Molecular FormulaC23H16O6
Molecular Weight388.38 g/mol
Exact Mass388.09
IUPAC Name2-(4-oxo-3-phenoxychromen-7-yl)oxy-2-phenylacetic acid
SMILESO=C(O)C(Oc1ccc2c(=O)c(Oc3ccccc3)coc2c1)c1ccccc1
InChIInChI=1S/C23H16O6/c24-21-18-12-11-17(29-22(23(25)26)15-7-3-1-4-8-15)13-19(18)27-14-20(21)28-16-9-5-2-6-10-16/h1-14,22H,(H,25,26)
InChIKeyNLNNHZUDBQOQPH-UHFFFAOYSA-N
XLogP4.79
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 ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-oxo-3-phenoxychromen-7-yl)oxypropanoic acid
CID 21180140
(4-oxo-3-phenoxychromen-7-yl) 2-aminopropanoate
CID 21204069
3-methyl-2-[3-(4-methylphenoxy)-4-oxochromen-7-yl]oxybutanoic acid
CID 20984150
propyl 2-[4-oxo-3-(4-phenylphenoxy)chromen-7-yl]oxypropanoate
CID 4106290
2-[4-oxo-3-(4-phenylphenoxy)chromen-7-yl]oxyacetic acid
CID 7745073
(4-oxo-3-phenoxychromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetate
CID 3841465
[3-(2-bromophenoxy)-4-oxochromen-7-yl] phenyl carbonate
CID 23996254
propan-2-yl (2S)-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate
CID 1182863
2-[3-(2-ethylphenoxy)-4-oxochromen-7-yl]oxy-3-methylbutanoic acid
CID 20992793
methyl 2-[3-(2-methoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate
CID 3725199
ethyl (2R)-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate
CID 1184521
ethyl 2-(3-naphthalen-2-yloxy-4-oxochromen-7-yl)oxypropanoate
CID 2790491

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-3-phenoxychromen-7-yl)oxy-2-phenylacetic acid?
The IUPAC name of 2-(4-oxo-3-phenoxychromen-7-yl)oxy-2-phenylacetic acid (CID 20994413) is 2-(4-oxo-3-phenoxychromen-7-yl)oxy-2-phenylacetic acid.
What is the SMILES notation for 2-(4-oxo-3-phenoxychromen-7-yl)oxy-2-phenylacetic acid?
The canonical SMILES for 2-(4-oxo-3-phenoxychromen-7-yl)oxy-2-phenylacetic acid is O=C(O)C(Oc1ccc2c(=O)c(Oc3ccccc3)coc2c1)c1ccccc1.
What is the InChIKey of 2-(4-oxo-3-phenoxychromen-7-yl)oxy-2-phenylacetic acid?
The InChIKey is NLNNHZUDBQOQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16O6/c24-21-18-12-11-17(29-22(23(25)26)15-7-3-1-4-8-15)13-19(18)27-14-20(21)28-16-9-5-2-6-10-16/h1-14,22H,(H,25,26).
What are the key properties of 2-(4-oxo-3-phenoxychromen-7-yl)oxy-2-phenylacetic acid?
2-(4-oxo-3-phenoxychromen-7-yl)oxy-2-phenylacetic acid has a molecular weight of 388.38 g/mol, XLogP of 4.79, 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-phenoxychromen-7-yl)oxy-2-phenylacetic acid is sourced from PubChem (CID 20994413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).