1,5-dioxaspiro[5.5]undecane-2,4-dione;1-iodo-2-phenylmethoxybenzene

C22H23IO5 — CID 129073295

IUPAC1,5-dioxaspiro[5.5]undecane-2,4-dione;1-iodo-2-phenylmethoxybenzene
SMILESIc1ccccc1OCc1ccccc1.O=C1CC(=O)OC2(CCCCC2)O1
InChIInChI=1S/C13H11IO.C9H12O4/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11;10-7-6-8(11)13-9(12-7)4-2-1-3-5-9/h1-9H,10H2;1-6H2
InChIKeyVXZWKQYLVAQKFS-UHFFFAOYSA-N
MW494.33 g/mol
LogP5.01
Rot. Bonds3

About 1,5-dioxaspiro[5.5]undecane-2,4-dione;1-iodo-2-phenylmethoxybenzene

1,5-dioxaspiro[5.5]undecane-2,4-dione;1-iodo-2-phenylmethoxybenzene (PubChem CID 129073295) has the molecular formula C22H23IO5 and a molecular weight of 494.33 g/mol. Its IUPAC name is 1,5-dioxaspiro[5.5]undecane-2,4-dione;1-iodo-2-phenylmethoxybenzene.

Molecular Properties

Compound Name1,5-dioxaspiro[5.5]undecane-2,4-dione;1-iodo-2-phenylmethoxybenzene
PubChem CID129073295
Molecular FormulaC22H23IO5
Molecular Weight494.33 g/mol
Exact Mass494.06
IUPAC Name1,5-dioxaspiro[5.5]undecane-2,4-dione;1-iodo-2-phenylmethoxybenzene
SMILESIc1ccccc1OCc1ccccc1.O=C1CC(=O)OC2(CCCCC2)O1
InChIInChI=1S/C13H11IO.C9H12O4/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11;10-7-6-8(11)13-9(12-7)4-2-1-3-5-9/h1-9H,10H2;1-6H2
InChIKeyVXZWKQYLVAQKFS-UHFFFAOYSA-N
XLogP5.01
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.33
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1,5-dioxaspiro[5.5]undecane-2,4-dione;1-iodo-2-phenylmethoxybenzene with MolForge

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

Launch Full Analysis

Related Compounds

3-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione
CID 3130452
1-[[1-(bromomethyl)cyclohexyl]methoxy]-2-iodobenzene
CID 65002254
1-iodo-4-phenylmethoxybenzene;2-methyl-2-phenyl-1,3-dioxane-4,6-dione
CID 129073286
4-bromo-1-iodo-2-methoxybenzene;6,10-dioxaspiro[4.5]decane-7,9-dione
CID 118355455
1-iodo-2-[(4-methylphenyl)methoxy]benzene
CID 63530114
1,2-bis[(2-iodophenoxy)methyl]benzene
CID 154951075
1-(2-hydroxy-3-phenylmethoxyphenyl)cyclopentane-1-carboxylic acid
CID 117497648
3-[(2-iodophenoxy)methyl]aniline
CID 43479605
1-iodo-2-nitro-3-phenylmethoxybenzene
CID 134860579
3,3-dimethyl-7-phenylmethoxy-2-benzofuran-1-one
CID 15261919
5-[(2-iodophenoxy)methyl]furan-2-carboxylic acid
CID 43479555
6',12'-Bis(benzyloxy)-dispiro(cyclohexane-1,3'-{2',4',8',10'-tetraoxatricyclo[7.4.3.0.0~7,11~]dodecane}-9',1''-cyclohexane)
CID 5051546

Frequently Asked Questions

What is the IUPAC name of 1,5-dioxaspiro[5.5]undecane-2,4-dione;1-iodo-2-phenylmethoxybenzene?
The IUPAC name of 1,5-dioxaspiro[5.5]undecane-2,4-dione;1-iodo-2-phenylmethoxybenzene (CID 129073295) is 1,5-dioxaspiro[5.5]undecane-2,4-dione;1-iodo-2-phenylmethoxybenzene.
What is the SMILES notation for 1,5-dioxaspiro[5.5]undecane-2,4-dione;1-iodo-2-phenylmethoxybenzene?
The canonical SMILES for 1,5-dioxaspiro[5.5]undecane-2,4-dione;1-iodo-2-phenylmethoxybenzene is Ic1ccccc1OCc1ccccc1.O=C1CC(=O)OC2(CCCCC2)O1.
What is the InChIKey of 1,5-dioxaspiro[5.5]undecane-2,4-dione;1-iodo-2-phenylmethoxybenzene?
The InChIKey is VXZWKQYLVAQKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11IO.C9H12O4/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11;10-7-6-8(11)13-9(12-7)4-2-1-3-5-9/h1-9H,10H2;1-6H2.
What are the key properties of 1,5-dioxaspiro[5.5]undecane-2,4-dione;1-iodo-2-phenylmethoxybenzene?
1,5-dioxaspiro[5.5]undecane-2,4-dione;1-iodo-2-phenylmethoxybenzene has a molecular weight of 494.33 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dioxaspiro[5.5]undecane-2,4-dione;1-iodo-2-phenylmethoxybenzene is sourced from PubChem (CID 129073295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).