7-(4-chlorophenyl)-6,10-dioxaspiro[4.5]dec-7-en-9-one

C14H13ClO3 — CID 752490

IUPAC7-(4-chlorophenyl)-6,10-dioxaspiro[4.5]dec-7-en-9-one
SMILESO=C1C=C(c2ccc(Cl)cc2)OC2(CCCC2)O1
InChIInChI=1S/C14H13ClO3/c15-11-5-3-10(4-6-11)12-9-13(16)18-14(17-12)7-1-2-8-14/h3-6,9H,1-2,7-8H2
InChIKeyMCHDTTSGVWGQNU-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.52
Rot. Bonds1

About 7-(4-chlorophenyl)-6,10-dioxaspiro[4.5]dec-7-en-9-one

7-(4-chlorophenyl)-6,10-dioxaspiro[4.5]dec-7-en-9-one (PubChem CID 752490) has the molecular formula C14H13ClO3 and a molecular weight of 264.71 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-6,10-dioxaspiro[4.5]dec-7-en-9-one.

Molecular Properties

Compound Name7-(4-chlorophenyl)-6,10-dioxaspiro[4.5]dec-7-en-9-one
PubChem CID752490
Molecular FormulaC14H13ClO3
Molecular Weight264.71 g/mol
Exact Mass264.06
IUPAC Name7-(4-chlorophenyl)-6,10-dioxaspiro[4.5]dec-7-en-9-one
SMILESO=C1C=C(c2ccc(Cl)cc2)OC2(CCCC2)O1
InChIInChI=1S/C14H13ClO3/c15-11-5-3-10(4-6-11)12-9-13(16)18-14(17-12)7-1-2-8-14/h3-6,9H,1-2,7-8H2
InChIKeyMCHDTTSGVWGQNU-UHFFFAOYSA-N
XLogP3.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Benzenemethanol, 4-chloro-, 1-acetate
CID 79407
9-Phenyl-6,10-dioxaspiro[4.5]dec-8-en-7-one
CID 3238394
(2S,3R)-2-(4-chlorophenyl)-3-methyl-2,3-dihydropyran-6-one
CID 16725269
7-Chloro-3-(4-chlorophenyl)-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
CID 73346073
5-(4-chlorophenyl)-2,2-dimethylfuran-3(2H)-one
CID 14492343
3-(4-Chlorobenzylidene)-5-phenylfuran-2(3h)-one
CID 1551569
2-(3-Chlorophenyl)-4-propan-2-yloxy-2,3-dihydropyran-6-one
CID 53382868
2,6-Bis(4-chlorophenyl)-4H-pyran-4-one
CID 257574
2(3H)-Furanone, 3-(4-chlorobenzylidene)-5-(4-chlorophenyl)-
CID 5372529
[(1R)-1-(4-chlorophenyl)propyl] acetate
CID 11206641
1-(4-Chlorophenyl)ethyl acetate
CID 303068
(3E)-3-benzylidene-5-(4-chlorophenyl)furan-2(3H)-one
CID 712307

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-6,10-dioxaspiro[4.5]dec-7-en-9-one?
The IUPAC name of 7-(4-chlorophenyl)-6,10-dioxaspiro[4.5]dec-7-en-9-one (CID 752490) is 7-(4-chlorophenyl)-6,10-dioxaspiro[4.5]dec-7-en-9-one.
What is the SMILES notation for 7-(4-chlorophenyl)-6,10-dioxaspiro[4.5]dec-7-en-9-one?
The canonical SMILES for 7-(4-chlorophenyl)-6,10-dioxaspiro[4.5]dec-7-en-9-one is O=C1C=C(c2ccc(Cl)cc2)OC2(CCCC2)O1.
What is the InChIKey of 7-(4-chlorophenyl)-6,10-dioxaspiro[4.5]dec-7-en-9-one?
The InChIKey is MCHDTTSGVWGQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO3/c15-11-5-3-10(4-6-11)12-9-13(16)18-14(17-12)7-1-2-8-14/h3-6,9H,1-2,7-8H2.
What are the key properties of 7-(4-chlorophenyl)-6,10-dioxaspiro[4.5]dec-7-en-9-one?
7-(4-chlorophenyl)-6,10-dioxaspiro[4.5]dec-7-en-9-one has a molecular weight of 264.71 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-6,10-dioxaspiro[4.5]dec-7-en-9-one is sourced from PubChem (CID 752490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).