2-[2-(2-methoxyphenyl)-4-oxochromen-3-yl]oxypropanoic acid

C19H16O6 — CID 20983860

IUPAC2-[2-(2-methoxyphenyl)-4-oxochromen-3-yl]oxypropanoic acid
SMILESCOc1ccccc1-c1oc2ccccc2c(=O)c1OC(C)C(=O)O
InChIInChI=1S/C19H16O6/c1-11(19(21)22)24-18-16(20)12-7-3-6-10-15(12)25-17(18)13-8-4-5-9-14(13)23-2/h3-11H,1-2H3,(H,21,22)
InChIKeyGJUXYWDFAVGOTE-UHFFFAOYSA-N
MW340.33 g/mol
LogP3.32
Rot. Bonds5

About 2-[2-(2-methoxyphenyl)-4-oxochromen-3-yl]oxypropanoic acid

2-[2-(2-methoxyphenyl)-4-oxochromen-3-yl]oxypropanoic acid (PubChem CID 20983860) has the molecular formula C19H16O6 and a molecular weight of 340.33 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenyl)-4-oxochromen-3-yl]oxypropanoic acid.

Molecular Properties

Compound Name2-[2-(2-methoxyphenyl)-4-oxochromen-3-yl]oxypropanoic acid
PubChem CID20983860
Molecular FormulaC19H16O6
Molecular Weight340.33 g/mol
Exact Mass340.09
IUPAC Name2-[2-(2-methoxyphenyl)-4-oxochromen-3-yl]oxypropanoic acid
SMILESCOc1ccccc1-c1oc2ccccc2c(=O)c1OC(C)C(=O)O
InChIInChI=1S/C19H16O6/c1-11(19(21)22)24-18-16(20)12-7-3-6-10-15(12)25-17(18)13-8-4-5-9-14(13)23-2/h3-11H,1-2H3,(H,21,22)
InChIKeyGJUXYWDFAVGOTE-UHFFFAOYSA-N
XLogP3.32
TPSA85.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-methoxyphenyl)-4-oxochromen-3-yl] hydrogen carbonate
CID 67869250
3-methoxy-2-(2-methoxyphenyl)chromen-4-one
CID 676169
2-(4-chlorophenyl)-3-(1-oxo-1-phenylpropan-2-yl)oxychromen-4-one
CID 3316849
ethyl 2-[2-(2-methoxyphenyl)-4-oxochromen-3-yl]acetate
CID 139291625
[2-acetyloxy-3-(3-acetyloxy-4-oxochromen-2-yl)phenyl] acetate
CID 134303208
(2S)-2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxypropanoic acid
CID 7747088
2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(2-phenylethyl)propanamide
CID 46303341
6-[2-(2,3-dimethoxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 154700123
2-(3,4-dimethoxyphenyl)-3-(1-morpholin-4-yl-1-oxopropan-2-yl)oxychromen-4-one
CID 46303437
3-hydroxy-2-(2-methoxy-5-methylphenyl)chromen-4-one
CID 71733634
N-cyclohexyl-2-[2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanamide
CID 46303054
ethyl 2-[2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoate
CID 3374835

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenyl)-4-oxochromen-3-yl]oxypropanoic acid?
The IUPAC name of 2-[2-(2-methoxyphenyl)-4-oxochromen-3-yl]oxypropanoic acid (CID 20983860) is 2-[2-(2-methoxyphenyl)-4-oxochromen-3-yl]oxypropanoic acid.
What is the SMILES notation for 2-[2-(2-methoxyphenyl)-4-oxochromen-3-yl]oxypropanoic acid?
The canonical SMILES for 2-[2-(2-methoxyphenyl)-4-oxochromen-3-yl]oxypropanoic acid is COc1ccccc1-c1oc2ccccc2c(=O)c1OC(C)C(=O)O.
What is the InChIKey of 2-[2-(2-methoxyphenyl)-4-oxochromen-3-yl]oxypropanoic acid?
The InChIKey is GJUXYWDFAVGOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O6/c1-11(19(21)22)24-18-16(20)12-7-3-6-10-15(12)25-17(18)13-8-4-5-9-14(13)23-2/h3-11H,1-2H3,(H,21,22).
What are the key properties of 2-[2-(2-methoxyphenyl)-4-oxochromen-3-yl]oxypropanoic acid?
2-[2-(2-methoxyphenyl)-4-oxochromen-3-yl]oxypropanoic acid has a molecular weight of 340.33 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenyl)-4-oxochromen-3-yl]oxypropanoic acid is sourced from PubChem (CID 20983860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).