ethyl 2-[2-(2-methoxyphenyl)-4-oxochromen-3-yl]acetate

C20H18O5 — CID 139291625

IUPACethyl 2-[2-(2-methoxyphenyl)-4-oxochromen-3-yl]acetate
SMILESCCOC(=O)Cc1c(-c2ccccc2OC)oc2ccccc2c1=O
InChIInChI=1S/C20H18O5/c1-3-24-18(21)12-15-19(22)13-8-4-7-11-17(13)25-20(15)14-9-5-6-10-16(14)23-2/h4-11H,3,12H2,1-2H3
InChIKeySBOIXSXHWZGUBW-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.57
Rot. Bonds5

About ethyl 2-[2-(2-methoxyphenyl)-4-oxochromen-3-yl]acetate

ethyl 2-[2-(2-methoxyphenyl)-4-oxochromen-3-yl]acetate (PubChem CID 139291625) has the molecular formula C20H18O5 and a molecular weight of 338.36 g/mol. Its IUPAC name is ethyl 2-[2-(2-methoxyphenyl)-4-oxochromen-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2-methoxyphenyl)-4-oxochromen-3-yl]acetate
PubChem CID139291625
Molecular FormulaC20H18O5
Molecular Weight338.36 g/mol
Exact Mass338.12
IUPAC Nameethyl 2-[2-(2-methoxyphenyl)-4-oxochromen-3-yl]acetate
SMILESCCOC(=O)Cc1c(-c2ccccc2OC)oc2ccccc2c1=O
InChIInChI=1S/C20H18O5/c1-3-24-18(21)12-15-19(22)13-8-4-7-11-17(13)25-20(15)14-9-5-6-10-16(14)23-2/h4-11H,3,12H2,1-2H3
InChIKeySBOIXSXHWZGUBW-UHFFFAOYSA-N
XLogP3.57
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-(3,5-dimethoxyphenyl)-4-oxochromen-3-yl]acetate
CID 57338476
3-methoxy-2-(2-methoxyphenyl)chromen-4-one
CID 676169
[2-(2-methoxyphenyl)-4-oxochromen-3-yl] hydrogen carbonate
CID 67869250
2-[2-(2-methoxyphenyl)-4-oxochromen-3-yl]oxypropanoic acid
CID 20983860
ethyl 2-(2-methyldibenzofuran-1-yl)acetate
CID 150461588
ethyl 2-(2-methylphenyl)-4-oxochromene-3-carboxylate
CID 154714903
ethyl 2-(2-methoxyphenyl)-3-methyl-4-oxochromene-8-carboxylate
CID 13288104
ethyl 2-(10,14-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaen-12-yl)acetate
CID 11462091
ethyl 3-ethyl-4-oxochromene-2-carboxylate
CID 142682858
ethyl 2-(2-methyl-4-oxo-1H-quinolin-3-yl)acetate
CID 70807104
3-hydroxy-2-(2-methoxy-5-methylphenyl)chromen-4-one
CID 71733634
ethyl 6-methoxy-2-(2-methoxyphenyl)-1-benzofuran-3-carboxylate
CID 90272615

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-methoxyphenyl)-4-oxochromen-3-yl]acetate?
The IUPAC name of ethyl 2-[2-(2-methoxyphenyl)-4-oxochromen-3-yl]acetate (CID 139291625) is ethyl 2-[2-(2-methoxyphenyl)-4-oxochromen-3-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(2-methoxyphenyl)-4-oxochromen-3-yl]acetate?
The canonical SMILES for ethyl 2-[2-(2-methoxyphenyl)-4-oxochromen-3-yl]acetate is CCOC(=O)Cc1c(-c2ccccc2OC)oc2ccccc2c1=O.
What is the InChIKey of ethyl 2-[2-(2-methoxyphenyl)-4-oxochromen-3-yl]acetate?
The InChIKey is SBOIXSXHWZGUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O5/c1-3-24-18(21)12-15-19(22)13-8-4-7-11-17(13)25-20(15)14-9-5-6-10-16(14)23-2/h4-11H,3,12H2,1-2H3.
What are the key properties of ethyl 2-[2-(2-methoxyphenyl)-4-oxochromen-3-yl]acetate?
ethyl 2-[2-(2-methoxyphenyl)-4-oxochromen-3-yl]acetate has a molecular weight of 338.36 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-methoxyphenyl)-4-oxochromen-3-yl]acetate is sourced from PubChem (CID 139291625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).