ethyl 2H-chromene-8-carboxylate

C12H12O3 — CID 140970389

IUPACethyl 2H-chromene-8-carboxylate
SMILESCCOC(=O)c1cccc2c1OCC=C2
InChIInChI=1S/C12H12O3/c1-2-14-12(13)10-7-3-5-9-6-4-8-15-11(9)10/h3-7H,2,8H2,1H3
InChIKeyIUVYIOPGCOHILM-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.27
Rot. Bonds2

About ethyl 2H-chromene-8-carboxylate

ethyl 2H-chromene-8-carboxylate (PubChem CID 140970389) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is ethyl 2H-chromene-8-carboxylate.

Molecular Properties

Compound Nameethyl 2H-chromene-8-carboxylate
PubChem CID140970389
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Nameethyl 2H-chromene-8-carboxylate
SMILESCCOC(=O)c1cccc2c1OCC=C2
InChIInChI=1S/C12H12O3/c1-2-14-12(13)10-7-3-5-9-6-4-8-15-11(9)10/h3-7H,2,8H2,1H3
InChIKeyIUVYIOPGCOHILM-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2H-chromene-8-carboxylate?
The IUPAC name of ethyl 2H-chromene-8-carboxylate (CID 140970389) is ethyl 2H-chromene-8-carboxylate.
What is the SMILES notation for ethyl 2H-chromene-8-carboxylate?
The canonical SMILES for ethyl 2H-chromene-8-carboxylate is CCOC(=O)c1cccc2c1OCC=C2.
What is the InChIKey of ethyl 2H-chromene-8-carboxylate?
The InChIKey is IUVYIOPGCOHILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-2-14-12(13)10-7-3-5-9-6-4-8-15-11(9)10/h3-7H,2,8H2,1H3.
What are the key properties of ethyl 2H-chromene-8-carboxylate?
ethyl 2H-chromene-8-carboxylate has a molecular weight of 204.22 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2H-chromene-8-carboxylate is sourced from PubChem (CID 140970389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).