methyl 2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyacetate

C19H16O6 — CID 2240973

IUPACmethyl 2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyacetate
SMILESCOC(=O)COc1c(-c2ccc(OC)cc2)oc2ccccc2c1=O
InChIInChI=1S/C19H16O6/c1-22-13-9-7-12(8-10-13)18-19(24-11-16(20)23-2)17(21)14-5-3-4-6-15(14)25-18/h3-10H,11H2,1-2H3
InChIKeyKYLNRKFNOLKWAF-UHFFFAOYSA-N
MW340.33 g/mol
LogP3.02
Rot. Bonds5

About methyl 2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyacetate

methyl 2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyacetate (PubChem CID 2240973) has the molecular formula C19H16O6 and a molecular weight of 340.33 g/mol. Its IUPAC name is methyl 2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyacetate
PubChem CID2240973
Molecular FormulaC19H16O6
Molecular Weight340.33 g/mol
Exact Mass340.09
IUPAC Namemethyl 2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyacetate
SMILESCOC(=O)COc1c(-c2ccc(OC)cc2)oc2ccccc2c1=O
InChIInChI=1S/C19H16O6/c1-22-13-9-7-12(8-10-13)18-19(24-11-16(20)23-2)17(21)14-5-3-4-6-15(14)25-18/h3-10H,11H2,1-2H3
InChIKeyKYLNRKFNOLKWAF-UHFFFAOYSA-N
XLogP3.02
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-oxo-2-phenylchromen-3-yl)oxyacetic acid
CID 735034
N-(3-cyano-4,5-diphenylfuran-2-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyacetamide
CID 46303348
2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(2-phenylethyl)propanamide
CID 46303341
2-(4-oxo-2-phenylchromen-3-yl)oxyacetamide
CID 735033
2-[2-(4-methoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetic acid
CID 7742761
3-phenacyloxy-2-phenylchromen-4-one
CID 7730834
ethyl 2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]propanoate
CID 57338478
2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide
CID 21000470
3-methoxy-2-(4-methylphenyl)chromen-4-one
CID 139049420
2-[3-(4-methoxyphenyl)-4-oxochromen-2-yl]oxy-N-naphthalen-1-ylacetamide
CID 155537197
methyl 4-oxo-2-(4-phenylmethoxyphenyl)chromene-3-carboxylate
CID 14791371
2-[2-(4-methoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-[2-(trifluoromethyl)phenyl]acetamide
CID 20999802

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyacetate?
The IUPAC name of methyl 2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyacetate (CID 2240973) is methyl 2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyacetate.
What is the SMILES notation for methyl 2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyacetate?
The canonical SMILES for methyl 2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyacetate is COC(=O)COc1c(-c2ccc(OC)cc2)oc2ccccc2c1=O.
What is the InChIKey of methyl 2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyacetate?
The InChIKey is KYLNRKFNOLKWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O6/c1-22-13-9-7-12(8-10-13)18-19(24-11-16(20)23-2)17(21)14-5-3-4-6-15(14)25-18/h3-10H,11H2,1-2H3.
What are the key properties of methyl 2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyacetate?
methyl 2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyacetate has a molecular weight of 340.33 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyacetate is sourced from PubChem (CID 2240973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).