ethyl 2-(2-methoxyphenyl)-3-methyl-4-oxochromene-8-carboxylate

C20H18O5 — CID 13288104

IUPACethyl 2-(2-methoxyphenyl)-3-methyl-4-oxochromene-8-carboxylate
SMILESCCOC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3OC)oc12
InChIInChI=1S/C20H18O5/c1-4-24-20(22)15-10-7-9-14-17(21)12(2)18(25-19(14)15)13-8-5-6-11-16(13)23-3/h5-11H,4H2,1-3H3
InChIKeyWQWUWXSNFJZYEH-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.95
Rot. Bonds4

About ethyl 2-(2-methoxyphenyl)-3-methyl-4-oxochromene-8-carboxylate

ethyl 2-(2-methoxyphenyl)-3-methyl-4-oxochromene-8-carboxylate (PubChem CID 13288104) has the molecular formula C20H18O5 and a molecular weight of 338.36 g/mol. Its IUPAC name is ethyl 2-(2-methoxyphenyl)-3-methyl-4-oxochromene-8-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-methoxyphenyl)-3-methyl-4-oxochromene-8-carboxylate
PubChem CID13288104
Molecular FormulaC20H18O5
Molecular Weight338.36 g/mol
Exact Mass338.12
IUPAC Nameethyl 2-(2-methoxyphenyl)-3-methyl-4-oxochromene-8-carboxylate
SMILESCCOC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3OC)oc12
InChIInChI=1S/C20H18O5/c1-4-24-20(22)15-10-7-9-14-17(21)12(2)18(25-19(14)15)13-8-5-6-11-16(13)23-3/h5-11H,4H2,1-3H3
InChIKeyWQWUWXSNFJZYEH-UHFFFAOYSA-N
XLogP3.95
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(2-ethoxyphenyl)-3-methyl-4-oxochromene-8-carboxylate
CID 13288110
2-(2,3-dimethoxyphenyl)-3-methyl-4-oxochromene-8-carboxylic acid
CID 13288116
2-methoxyethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 46642244
2-methylprop-2-enyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 18098557
ethyl 5-(2-methoxyphenyl)-1,2-oxazole-4-carboxylate
CID 22831688
N-[2-(2-methoxyphenoxy)ethyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 43009458
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 16505428
3-piperidin-1-ylpropyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 13324430
ethyl 2-[2-(2-methoxyphenyl)-4-oxochromen-3-yl]acetate
CID 139291625
ethyl 2-ethoxy-3-methoxybenzoate
CID 82186199
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 16505437
2-morpholin-4-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 18967

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methoxyphenyl)-3-methyl-4-oxochromene-8-carboxylate?
The IUPAC name of ethyl 2-(2-methoxyphenyl)-3-methyl-4-oxochromene-8-carboxylate (CID 13288104) is ethyl 2-(2-methoxyphenyl)-3-methyl-4-oxochromene-8-carboxylate.
What is the SMILES notation for ethyl 2-(2-methoxyphenyl)-3-methyl-4-oxochromene-8-carboxylate?
The canonical SMILES for ethyl 2-(2-methoxyphenyl)-3-methyl-4-oxochromene-8-carboxylate is CCOC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3OC)oc12.
What is the InChIKey of ethyl 2-(2-methoxyphenyl)-3-methyl-4-oxochromene-8-carboxylate?
The InChIKey is WQWUWXSNFJZYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O5/c1-4-24-20(22)15-10-7-9-14-17(21)12(2)18(25-19(14)15)13-8-5-6-11-16(13)23-3/h5-11H,4H2,1-3H3.
What are the key properties of ethyl 2-(2-methoxyphenyl)-3-methyl-4-oxochromene-8-carboxylate?
ethyl 2-(2-methoxyphenyl)-3-methyl-4-oxochromene-8-carboxylate has a molecular weight of 338.36 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methoxyphenyl)-3-methyl-4-oxochromene-8-carboxylate is sourced from PubChem (CID 13288104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).