8-ethoxy-4H-chromen-3-one

C11H12O3 — CID 82604473

IUPAC8-ethoxy-4H-chromen-3-one
SMILESCCOc1cccc2c1OCC(=O)C2
InChIInChI=1S/C11H12O3/c1-2-13-10-5-3-4-8-6-9(12)7-14-11(8)10/h3-5H,2,6-7H2,1H3
InChIKeyRMVKZMMBGQZMTF-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.59
Rot. Bonds2

About 8-ethoxy-4H-chromen-3-one

8-ethoxy-4H-chromen-3-one (PubChem CID 82604473) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 8-ethoxy-4H-chromen-3-one.

Molecular Properties

Compound Name8-ethoxy-4H-chromen-3-one
PubChem CID82604473
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name8-ethoxy-4H-chromen-3-one
SMILESCCOc1cccc2c1OCC(=O)C2
InChIInChI=1S/C11H12O3/c1-2-13-10-5-3-4-8-6-9(12)7-14-11(8)10/h3-5H,2,6-7H2,1H3
InChIKeyRMVKZMMBGQZMTF-UHFFFAOYSA-N
XLogP1.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-4H-chromen-3-one?
The IUPAC name of 8-ethoxy-4H-chromen-3-one (CID 82604473) is 8-ethoxy-4H-chromen-3-one.
What is the SMILES notation for 8-ethoxy-4H-chromen-3-one?
The canonical SMILES for 8-ethoxy-4H-chromen-3-one is CCOc1cccc2c1OCC(=O)C2.
What is the InChIKey of 8-ethoxy-4H-chromen-3-one?
The InChIKey is RMVKZMMBGQZMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-2-13-10-5-3-4-8-6-9(12)7-14-11(8)10/h3-5H,2,6-7H2,1H3.
What are the key properties of 8-ethoxy-4H-chromen-3-one?
8-ethoxy-4H-chromen-3-one has a molecular weight of 192.21 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-4H-chromen-3-one is sourced from PubChem (CID 82604473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).