7-chloro-3-(4-chlorophenyl)-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one

C14H10Cl2O3 — CID 73346073

IUPAC7-chloro-3-(4-chlorophenyl)-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
SMILESO=C1C=CC2(C=C1Cl)OCC(c1ccc(Cl)cc1)O2
InChIInChI=1S/C14H10Cl2O3/c15-10-3-1-9(2-4-10)13-8-18-14(19-13)6-5-12(17)11(16)7-14/h1-7,13H,8H2
InChIKeyAKZHRZUIBCUOSK-UHFFFAOYSA-N
MW297.14 g/mol
LogP3.39
Rot. Bonds1

About 7-chloro-3-(4-chlorophenyl)-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one

7-chloro-3-(4-chlorophenyl)-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one (PubChem CID 73346073) has the molecular formula C14H10Cl2O3 and a molecular weight of 297.14 g/mol. Its IUPAC name is 7-chloro-3-(4-chlorophenyl)-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one.

Molecular Properties

Compound Name7-chloro-3-(4-chlorophenyl)-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
PubChem CID73346073
Molecular FormulaC14H10Cl2O3
Molecular Weight297.14 g/mol
Exact Mass296.00
IUPAC Name7-chloro-3-(4-chlorophenyl)-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
SMILESO=C1C=CC2(C=C1Cl)OCC(c1ccc(Cl)cc1)O2
InChIInChI=1S/C14H10Cl2O3/c15-10-3-1-9(2-4-10)13-8-18-14(19-13)6-5-12(17)11(16)7-14/h1-7,13H,8H2
InChIKeyAKZHRZUIBCUOSK-UHFFFAOYSA-N
XLogP3.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}

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Related Compounds

2-(4-Chlorophenyl)-1,3-dioxolane
CID 305775
3-[3-(4-Chlorophenyl)phenyl]-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
CID 72205800
(3R,5R)-7-chloro-3-(4-iodophenyl)-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
CID 73356725
9-(4-Chlorophenyl)-6,10-dioxaspiro[4.5]dec-8-en-7-one
CID 752490
(2S,3R)-2-(4-chlorophenyl)-3-methyl-2,3-dihydropyran-6-one
CID 16725269
2-(3-Iodophenyl)-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
CID 72205615
2-(4-Iodophenyl)-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
CID 72205616
3-[3-(3-Chlorophenyl)phenyl]-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
CID 72205799
3-[4-(3-Chlorophenyl)phenyl]-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
CID 72206000
(3R,5S)-7-chloro-3-(4-iodophenyl)-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
CID 72206359
7-Chloro-3-(3-iodophenyl)-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
CID 73353669
1,3-Dioxolane, 2-(p-chlorophenyl)-2,4-dimethyl-
CID 43113

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(4-chlorophenyl)-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one?
The IUPAC name of 7-chloro-3-(4-chlorophenyl)-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one (CID 73346073) is 7-chloro-3-(4-chlorophenyl)-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one.
What is the SMILES notation for 7-chloro-3-(4-chlorophenyl)-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one?
The canonical SMILES for 7-chloro-3-(4-chlorophenyl)-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one is O=C1C=CC2(C=C1Cl)OCC(c1ccc(Cl)cc1)O2.
What is the InChIKey of 7-chloro-3-(4-chlorophenyl)-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one?
The InChIKey is AKZHRZUIBCUOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O3/c15-10-3-1-9(2-4-10)13-8-18-14(19-13)6-5-12(17)11(16)7-14/h1-7,13H,8H2.
What are the key properties of 7-chloro-3-(4-chlorophenyl)-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one?
7-chloro-3-(4-chlorophenyl)-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one has a molecular weight of 297.14 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(4-chlorophenyl)-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one is sourced from PubChem (CID 73346073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).