ethyl 3-ethyl-4-oxochromene-2-carboxylate

C14H14O4 — CID 142682858

IUPACethyl 3-ethyl-4-oxochromene-2-carboxylate
SMILESCCOC(=O)c1oc2ccccc2c(=O)c1CC
InChIInChI=1S/C14H14O4/c1-3-9-12(15)10-7-5-6-8-11(10)18-13(9)14(16)17-4-2/h5-8H,3-4H2,1-2H3
InChIKeyUFZIMJFODAGHID-UHFFFAOYSA-N
MW246.26 g/mol
LogP2.53
Rot. Bonds3

About ethyl 3-ethyl-4-oxochromene-2-carboxylate

ethyl 3-ethyl-4-oxochromene-2-carboxylate (PubChem CID 142682858) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is ethyl 3-ethyl-4-oxochromene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-ethyl-4-oxochromene-2-carboxylate
PubChem CID142682858
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Nameethyl 3-ethyl-4-oxochromene-2-carboxylate
SMILESCCOC(=O)c1oc2ccccc2c(=O)c1CC
InChIInChI=1S/C14H14O4/c1-3-9-12(15)10-7-5-6-8-11(10)18-13(9)14(16)17-4-2/h5-8H,3-4H2,1-2H3
InChIKeyUFZIMJFODAGHID-UHFFFAOYSA-N
XLogP2.53
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-4-oxochromene-2-carboxamide
CID 151195222
ethyl 3-methoxy-1-benzofuran-2-carboxylate
CID 10922024
ethyl 3-ethyl-5-methyl-1-benzofuran-2-carboxylate
CID 138539367
ethyl 2-(chloromethyl)-4-oxochromene-3-carboxylate
CID 154715605
ethyl 3-[(5-methylthiophene-2-carbonyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 16560148
ethyl 9-oxoxanthene-1-carboxylate
CID 174406406
ethyl 3-[(5-methylfuran-2-carbonyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 8531697
ethyl 3-nitro-1-benzofuran-2-carboxylate
CID 154251885
ethyl 2-(2-methylphenyl)-4-oxochromene-3-carboxylate
CID 154714903
ethyl 3-[[2-[(S)-methylsulfinyl]benzoyl]oxymethyl]-1-benzofuran-2-carboxylate
CID 11927023
ethyl 3-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1-benzofuran-2-carboxylate
CID 31806044
ethyl 3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]oxymethyl]-1-benzofuran-2-carboxylate
CID 8510356

Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethyl-4-oxochromene-2-carboxylate?
The IUPAC name of ethyl 3-ethyl-4-oxochromene-2-carboxylate (CID 142682858) is ethyl 3-ethyl-4-oxochromene-2-carboxylate.
What is the SMILES notation for ethyl 3-ethyl-4-oxochromene-2-carboxylate?
The canonical SMILES for ethyl 3-ethyl-4-oxochromene-2-carboxylate is CCOC(=O)c1oc2ccccc2c(=O)c1CC.
What is the InChIKey of ethyl 3-ethyl-4-oxochromene-2-carboxylate?
The InChIKey is UFZIMJFODAGHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4/c1-3-9-12(15)10-7-5-6-8-11(10)18-13(9)14(16)17-4-2/h5-8H,3-4H2,1-2H3.
What are the key properties of ethyl 3-ethyl-4-oxochromene-2-carboxylate?
ethyl 3-ethyl-4-oxochromene-2-carboxylate has a molecular weight of 246.26 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethyl-4-oxochromene-2-carboxylate is sourced from PubChem (CID 142682858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).