3-ethoxy-4-hydroxycyclopent-2-en-1-one

C7H10O3 — CID 130029490

IUPAC3-ethoxy-4-hydroxycyclopent-2-en-1-one
SMILESCCOC1=CC(=O)CC1O
InChIInChI=1S/C7H10O3/c1-2-10-7-4-5(8)3-6(7)9/h4,6,9H,2-3H2,1H3
InChIKeyLMTXPULFGFNHGZ-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.24
Rot. Bonds2

About 3-ethoxy-4-hydroxycyclopent-2-en-1-one

3-ethoxy-4-hydroxycyclopent-2-en-1-one (PubChem CID 130029490) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 3-ethoxy-4-hydroxycyclopent-2-en-1-one.

Molecular Properties

Compound Name3-ethoxy-4-hydroxycyclopent-2-en-1-one
PubChem CID130029490
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name3-ethoxy-4-hydroxycyclopent-2-en-1-one
SMILESCCOC1=CC(=O)CC1O
InChIInChI=1S/C7H10O3/c1-2-10-7-4-5(8)3-6(7)9/h4,6,9H,2-3H2,1H3
InChIKeyLMTXPULFGFNHGZ-UHFFFAOYSA-N
XLogP0.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-hydroxycyclopent-2-en-1-one?
The IUPAC name of 3-ethoxy-4-hydroxycyclopent-2-en-1-one (CID 130029490) is 3-ethoxy-4-hydroxycyclopent-2-en-1-one.
What is the SMILES notation for 3-ethoxy-4-hydroxycyclopent-2-en-1-one?
The canonical SMILES for 3-ethoxy-4-hydroxycyclopent-2-en-1-one is CCOC1=CC(=O)CC1O.
What is the InChIKey of 3-ethoxy-4-hydroxycyclopent-2-en-1-one?
The InChIKey is LMTXPULFGFNHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-2-10-7-4-5(8)3-6(7)9/h4,6,9H,2-3H2,1H3.
What are the key properties of 3-ethoxy-4-hydroxycyclopent-2-en-1-one?
3-ethoxy-4-hydroxycyclopent-2-en-1-one has a molecular weight of 142.15 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-hydroxycyclopent-2-en-1-one is sourced from PubChem (CID 130029490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).