ethyl 4H-chromene-7-carboxylate

C12H12O3 — CID 69083368

IUPACethyl 4H-chromene-7-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)OC=CC2
InChIInChI=1S/C12H12O3/c1-2-14-12(13)10-6-5-9-4-3-7-15-11(9)8-10/h3,5-8H,2,4H2,1H3
InChIKeyRVOYSRGVBBAQHS-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.31
Rot. Bonds2

About ethyl 4H-chromene-7-carboxylate

ethyl 4H-chromene-7-carboxylate (PubChem CID 69083368) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is ethyl 4H-chromene-7-carboxylate.

Molecular Properties

Compound Nameethyl 4H-chromene-7-carboxylate
PubChem CID69083368
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Nameethyl 4H-chromene-7-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)OC=CC2
InChIInChI=1S/C12H12O3/c1-2-14-12(13)10-6-5-9-4-3-7-15-11(9)8-10/h3,5-8H,2,4H2,1H3
InChIKeyRVOYSRGVBBAQHS-UHFFFAOYSA-N
XLogP2.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4H-chromene-7-carboxylate?
The IUPAC name of ethyl 4H-chromene-7-carboxylate (CID 69083368) is ethyl 4H-chromene-7-carboxylate.
What is the SMILES notation for ethyl 4H-chromene-7-carboxylate?
The canonical SMILES for ethyl 4H-chromene-7-carboxylate is CCOC(=O)c1ccc2c(c1)OC=CC2.
What is the InChIKey of ethyl 4H-chromene-7-carboxylate?
The InChIKey is RVOYSRGVBBAQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-2-14-12(13)10-6-5-9-4-3-7-15-11(9)8-10/h3,5-8H,2,4H2,1H3.
What are the key properties of ethyl 4H-chromene-7-carboxylate?
ethyl 4H-chromene-7-carboxylate has a molecular weight of 204.22 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4H-chromene-7-carboxylate is sourced from PubChem (CID 69083368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).