3-(3,5-dichlorophenyl)-4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one

C15H14Cl2O3 — CID 139596094

IUPAC3-(3,5-dichlorophenyl)-4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one
SMILESO=C1OC2(CCCCC2)C(O)=C1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H14Cl2O3/c16-10-6-9(7-11(17)8-10)12-13(18)15(20-14(12)19)4-2-1-3-5-15/h6-8,18H,1-5H2
InChIKeyMPPMMWGYUJWQJN-UHFFFAOYSA-N
MW313.18 g/mol
LogP4.52
Rot. Bonds1

About 3-(3,5-dichlorophenyl)-4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one

3-(3,5-dichlorophenyl)-4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one (PubChem CID 139596094) has the molecular formula C15H14Cl2O3 and a molecular weight of 313.18 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one
PubChem CID139596094
Molecular FormulaC15H14Cl2O3
Molecular Weight313.18 g/mol
Exact Mass312.03
IUPAC Name3-(3,5-dichlorophenyl)-4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one
SMILESO=C1OC2(CCCCC2)C(O)=C1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H14Cl2O3/c16-10-6-9(7-11(17)8-10)12-13(18)15(20-14(12)19)4-2-1-3-5-15/h6-8,18H,1-5H2
InChIKeyMPPMMWGYUJWQJN-UHFFFAOYSA-N
XLogP4.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3,5-dichlorophenyl)-4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 3-(3,5-dichlorophenyl)-4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one (CID 139596094) is 3-(3,5-dichlorophenyl)-4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 3-(3,5-dichlorophenyl)-4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one is O=C1OC2(CCCCC2)C(O)=C1c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-(3,5-dichlorophenyl)-4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one?
The InChIKey is MPPMMWGYUJWQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2O3/c16-10-6-9(7-11(17)8-10)12-13(18)15(20-14(12)19)4-2-1-3-5-15/h6-8,18H,1-5H2.
What are the key properties of 3-(3,5-dichlorophenyl)-4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one?
3-(3,5-dichlorophenyl)-4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one has a molecular weight of 313.18 g/mol, XLogP of 4.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 139596094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).