3-(2-chlorophenyl)-1-oxaspiro[4.5]decane-2,4-dione

C15H15ClO3 — CID 54310651

IUPAC3-(2-chlorophenyl)-1-oxaspiro[4.5]decane-2,4-dione
SMILESO=C1OC2(CCCCC2)C(=O)C1c1ccccc1Cl
InChIInChI=1S/C15H15ClO3/c16-11-7-3-2-6-10(11)12-13(17)15(19-14(12)18)8-4-1-5-9-15/h2-3,6-7,12H,1,4-5,8-9H2
InChIKeySKQBWLYHIFLTDD-UHFFFAOYSA-N
MW278.73 g/mol
LogP3.25
Rot. Bonds1

About 3-(2-chlorophenyl)-1-oxaspiro[4.5]decane-2,4-dione

3-(2-chlorophenyl)-1-oxaspiro[4.5]decane-2,4-dione (PubChem CID 54310651) has the molecular formula C15H15ClO3 and a molecular weight of 278.73 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-oxaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-oxaspiro[4.5]decane-2,4-dione
PubChem CID54310651
Molecular FormulaC15H15ClO3
Molecular Weight278.73 g/mol
Exact Mass278.07
IUPAC Name3-(2-chlorophenyl)-1-oxaspiro[4.5]decane-2,4-dione
SMILESO=C1OC2(CCCCC2)C(=O)C1c1ccccc1Cl
InChIInChI=1S/C15H15ClO3/c16-11-7-3-2-6-10(11)12-13(17)15(19-14(12)18)8-4-1-5-9-15/h2-3,6-7,12H,1,4-5,8-9H2
InChIKeySKQBWLYHIFLTDD-UHFFFAOYSA-N
XLogP3.25
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.73
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(3-aminophenyl)-5-chloro-2-methylphenyl]-1-oxaspiro[4.5]decane-2,4-dione
CID 90903586
N-[5-[2-chloro-4-(2,4-dioxo-1-oxaspiro[4.5]decan-3-yl)-5-methylphenyl]-2-methylphenyl]acetamide
CID 91579459
N-[3-[2-chloro-4-(2,4-dioxo-1-oxaspiro[4.5]decan-3-yl)-5-methylphenyl]phenyl]pyridine-3-sulfonamide
CID 91217397
2-(2-chlorophenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazine-1,3-dione
CID 22417598
3-[4-(3-methoxyphenyl)phenyl]-1-oxaspiro[4.5]decane-2,4-dione
CID 90987552
10-[5-(4-chlorophenyl)-2-methylphenyl]-4,12-dioxadispiro[4.2.48.25]tetradecane-9,11-dione
CID 53357361
3-[5-(4-chlorophenyl)-2-methylphenyl]-1,9-dioxaspiro[4.5]decane-2,4-dione
CID 53357091
1-[5-[2-(2-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120861103
2-(benzenesulfonyl)-4a-chloro-1-(2-chlorophenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinoline
CID 18833823
[(4S)-8-chlorospiro[4H-1,3-benzodioxine-2,1'-cyclohexane]-4-yl]methyl sulfamate
CID 122638233
3-[4-(3-aminophenyl)-5-chloro-2-methylphenyl]-4-imino-1-oxaspiro[4.5]decan-2-one
CID 90976968
5-(2-chlorophenyl)-3-sulfanyloxolan-2-one
CID 135040364

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-oxaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-(2-chlorophenyl)-1-oxaspiro[4.5]decane-2,4-dione (CID 54310651) is 3-(2-chlorophenyl)-1-oxaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-(2-chlorophenyl)-1-oxaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-(2-chlorophenyl)-1-oxaspiro[4.5]decane-2,4-dione is O=C1OC2(CCCCC2)C(=O)C1c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-1-oxaspiro[4.5]decane-2,4-dione?
The InChIKey is SKQBWLYHIFLTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO3/c16-11-7-3-2-6-10(11)12-13(17)15(19-14(12)18)8-4-1-5-9-15/h2-3,6-7,12H,1,4-5,8-9H2.
What are the key properties of 3-(2-chlorophenyl)-1-oxaspiro[4.5]decane-2,4-dione?
3-(2-chlorophenyl)-1-oxaspiro[4.5]decane-2,4-dione has a molecular weight of 278.73 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-oxaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 54310651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).