3-(3,5-dichlorophenyl)-3-hydroxy-1-oxaspiro[4.5]decane-2,4-dione

C15H14Cl2O4 — CID 139596637

IUPAC3-(3,5-dichlorophenyl)-3-hydroxy-1-oxaspiro[4.5]decane-2,4-dione
SMILESO=C1OC2(CCCCC2)C(=O)C1(O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H14Cl2O4/c16-10-6-9(7-11(17)8-10)15(20)12(18)14(21-13(15)19)4-2-1-3-5-14/h6-8,20H,1-5H2
InChIKeyPOKDJNMKRGJHHU-UHFFFAOYSA-N
MW329.18 g/mol
LogP3.01
Rot. Bonds1

About 3-(3,5-dichlorophenyl)-3-hydroxy-1-oxaspiro[4.5]decane-2,4-dione

3-(3,5-dichlorophenyl)-3-hydroxy-1-oxaspiro[4.5]decane-2,4-dione (PubChem CID 139596637) has the molecular formula C15H14Cl2O4 and a molecular weight of 329.18 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-3-hydroxy-1-oxaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-3-hydroxy-1-oxaspiro[4.5]decane-2,4-dione
PubChem CID139596637
Molecular FormulaC15H14Cl2O4
Molecular Weight329.18 g/mol
Exact Mass328.03
IUPAC Name3-(3,5-dichlorophenyl)-3-hydroxy-1-oxaspiro[4.5]decane-2,4-dione
SMILESO=C1OC2(CCCCC2)C(=O)C1(O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H14Cl2O4/c16-10-6-9(7-11(17)8-10)15(20)12(18)14(21-13(15)19)4-2-1-3-5-14/h6-8,20H,1-5H2
InChIKeyPOKDJNMKRGJHHU-UHFFFAOYSA-N
XLogP3.01
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.18
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

BAJ 2740-dihydroxy
CID 139597739
Methyl 2-(3,5-dichlorophenyl)-3-fluoro-2-hydroxybut-3-enoate
CID 122677145
5-(3,5-Dichlorophenyl)-5-methyl-4-oxofuran-2-carboxylic acid
CID 11471723
Dimethyl 3,4-dichlorophenylhydroxymalonate
CID 13361971
2-(2,4-Dichlorophenyl)-2-hydroxypropanedioic acid
CID 20183132
2-(2,6-Dichlorophenyl)-2-hydroxypropanedioic acid
CID 20183155
2-Hydroxy-2-(3,4,5-trichlorophenyl)propanedioic acid
CID 20183157
2-(3,5-Dichlorophenyl)-2-hydroxypropanedioic acid
CID 20183167
2-(2,5-Dichlorophenyl)-2-hydroxypropanedioic acid
CID 20183168
3,3'-Dichlorobenzilic acid
CID 22574206
Methyl 3,3'-dichlorobenzilate
CID 22574217
Diethyl 2-(3-chlorophenyl)-2-hydroxypropanedioate
CID 53682530

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-3-hydroxy-1-oxaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-(3,5-dichlorophenyl)-3-hydroxy-1-oxaspiro[4.5]decane-2,4-dione (CID 139596637) is 3-(3,5-dichlorophenyl)-3-hydroxy-1-oxaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-3-hydroxy-1-oxaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-(3,5-dichlorophenyl)-3-hydroxy-1-oxaspiro[4.5]decane-2,4-dione is O=C1OC2(CCCCC2)C(=O)C1(O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-(3,5-dichlorophenyl)-3-hydroxy-1-oxaspiro[4.5]decane-2,4-dione?
The InChIKey is POKDJNMKRGJHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2O4/c16-10-6-9(7-11(17)8-10)15(20)12(18)14(21-13(15)19)4-2-1-3-5-14/h6-8,20H,1-5H2.
What are the key properties of 3-(3,5-dichlorophenyl)-3-hydroxy-1-oxaspiro[4.5]decane-2,4-dione?
3-(3,5-dichlorophenyl)-3-hydroxy-1-oxaspiro[4.5]decane-2,4-dione has a molecular weight of 329.18 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-3-hydroxy-1-oxaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 139596637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).