4-ethoxy-5-hydroxycyclohexa-2,4-dien-1-one

C8H10O3 — CID 23177864

IUPAC4-ethoxy-5-hydroxycyclohexa-2,4-dien-1-one
SMILESCCOC1=C(O)CC(=O)C=C1
InChIInChI=1S/C8H10O3/c1-2-11-8-4-3-6(9)5-7(8)10/h3-4,10H,2,5H2,1H3
InChIKeyDUXATTLXGILZLU-UHFFFAOYSA-N
MW154.16 g/mol
LogP1.32
Rot. Bonds2

About 4-ethoxy-5-hydroxycyclohexa-2,4-dien-1-one

4-ethoxy-5-hydroxycyclohexa-2,4-dien-1-one (PubChem CID 23177864) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 4-ethoxy-5-hydroxycyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name4-ethoxy-5-hydroxycyclohexa-2,4-dien-1-one
PubChem CID23177864
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name4-ethoxy-5-hydroxycyclohexa-2,4-dien-1-one
SMILESCCOC1=C(O)CC(=O)C=C1
InChIInChI=1S/C8H10O3/c1-2-11-8-4-3-6(9)5-7(8)10/h3-4,10H,2,5H2,1H3
InChIKeyDUXATTLXGILZLU-UHFFFAOYSA-N
XLogP1.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-hydroxycyclohexa-2,4-dien-1-one?
The IUPAC name of 4-ethoxy-5-hydroxycyclohexa-2,4-dien-1-one (CID 23177864) is 4-ethoxy-5-hydroxycyclohexa-2,4-dien-1-one.
What is the SMILES notation for 4-ethoxy-5-hydroxycyclohexa-2,4-dien-1-one?
The canonical SMILES for 4-ethoxy-5-hydroxycyclohexa-2,4-dien-1-one is CCOC1=C(O)CC(=O)C=C1.
What is the InChIKey of 4-ethoxy-5-hydroxycyclohexa-2,4-dien-1-one?
The InChIKey is DUXATTLXGILZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-2-11-8-4-3-6(9)5-7(8)10/h3-4,10H,2,5H2,1H3.
What are the key properties of 4-ethoxy-5-hydroxycyclohexa-2,4-dien-1-one?
4-ethoxy-5-hydroxycyclohexa-2,4-dien-1-one has a molecular weight of 154.16 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-hydroxycyclohexa-2,4-dien-1-one is sourced from PubChem (CID 23177864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).