3-(2-ethyl-5-hydroxyphenyl)-4-hydroxy-8-oxaspiro[4.5]dec-3-en-2-one

C17H20O4 — CID 130179720

IUPAC3-(2-ethyl-5-hydroxyphenyl)-4-hydroxy-8-oxaspiro[4.5]dec-3-en-2-one
SMILESCCc1ccc(O)cc1C1=C(O)C2(CCOCC2)CC1=O
InChIInChI=1S/C17H20O4/c1-2-11-3-4-12(18)9-13(11)15-14(19)10-17(16(15)20)5-7-21-8-6-17/h3-4,9,18,20H,2,5-8,10H2,1H3
InChIKeyNLDQYNWTWHZMNG-UHFFFAOYSA-N
MW288.34 g/mol
LogP2.99
Rot. Bonds2

About 3-(2-ethyl-5-hydroxyphenyl)-4-hydroxy-8-oxaspiro[4.5]dec-3-en-2-one

3-(2-ethyl-5-hydroxyphenyl)-4-hydroxy-8-oxaspiro[4.5]dec-3-en-2-one (PubChem CID 130179720) has the molecular formula C17H20O4 and a molecular weight of 288.34 g/mol. Its IUPAC name is 3-(2-ethyl-5-hydroxyphenyl)-4-hydroxy-8-oxaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name3-(2-ethyl-5-hydroxyphenyl)-4-hydroxy-8-oxaspiro[4.5]dec-3-en-2-one
PubChem CID130179720
Molecular FormulaC17H20O4
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name3-(2-ethyl-5-hydroxyphenyl)-4-hydroxy-8-oxaspiro[4.5]dec-3-en-2-one
SMILESCCc1ccc(O)cc1C1=C(O)C2(CCOCC2)CC1=O
InChIInChI=1S/C17H20O4/c1-2-11-3-4-12(18)9-13(11)15-14(19)10-17(16(15)20)5-7-21-8-6-17/h3-4,9,18,20H,2,5-8,10H2,1H3
InChIKeyNLDQYNWTWHZMNG-UHFFFAOYSA-N
XLogP2.99
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-5-hydroxyphenyl)-4-hydroxy-8-oxaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 3-(2-ethyl-5-hydroxyphenyl)-4-hydroxy-8-oxaspiro[4.5]dec-3-en-2-one (CID 130179720) is 3-(2-ethyl-5-hydroxyphenyl)-4-hydroxy-8-oxaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 3-(2-ethyl-5-hydroxyphenyl)-4-hydroxy-8-oxaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 3-(2-ethyl-5-hydroxyphenyl)-4-hydroxy-8-oxaspiro[4.5]dec-3-en-2-one is CCc1ccc(O)cc1C1=C(O)C2(CCOCC2)CC1=O.
What is the InChIKey of 3-(2-ethyl-5-hydroxyphenyl)-4-hydroxy-8-oxaspiro[4.5]dec-3-en-2-one?
The InChIKey is NLDQYNWTWHZMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O4/c1-2-11-3-4-12(18)9-13(11)15-14(19)10-17(16(15)20)5-7-21-8-6-17/h3-4,9,18,20H,2,5-8,10H2,1H3.
What are the key properties of 3-(2-ethyl-5-hydroxyphenyl)-4-hydroxy-8-oxaspiro[4.5]dec-3-en-2-one?
3-(2-ethyl-5-hydroxyphenyl)-4-hydroxy-8-oxaspiro[4.5]dec-3-en-2-one has a molecular weight of 288.34 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-5-hydroxyphenyl)-4-hydroxy-8-oxaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 130179720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).