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

C15H16O4 — CID 752487

IUPAC7-(4-methoxyphenyl)-6,10-dioxaspiro[4.5]dec-7-en-9-one
SMILESCOc1ccc(C2=CC(=O)OC3(CCCC3)O2)cc1
InChIInChI=1S/C15H16O4/c1-17-12-6-4-11(5-7-12)13-10-14(16)19-15(18-13)8-2-3-9-15/h4-7,10H,2-3,8-9H2,1H3
InChIKeyAURFQIWFVGKEKU-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.88
Rot. Bonds2

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

7-(4-methoxyphenyl)-6,10-dioxaspiro[4.5]dec-7-en-9-one (PubChem CID 752487) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-6,10-dioxaspiro[4.5]dec-7-en-9-one.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-6,10-dioxaspiro[4.5]dec-7-en-9-one
PubChem CID752487
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name7-(4-methoxyphenyl)-6,10-dioxaspiro[4.5]dec-7-en-9-one
SMILESCOc1ccc(C2=CC(=O)OC3(CCCC3)O2)cc1
InChIInChI=1S/C15H16O4/c1-17-12-6-4-11(5-7-12)13-10-14(16)19-15(18-13)8-2-3-9-15/h4-7,10H,2-3,8-9H2,1H3
InChIKeyAURFQIWFVGKEKU-UHFFFAOYSA-N
XLogP2.88
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-6,10-dioxaspiro[4.5]dec-7-en-9-one?
The IUPAC name of 7-(4-methoxyphenyl)-6,10-dioxaspiro[4.5]dec-7-en-9-one (CID 752487) is 7-(4-methoxyphenyl)-6,10-dioxaspiro[4.5]dec-7-en-9-one.
What is the SMILES notation for 7-(4-methoxyphenyl)-6,10-dioxaspiro[4.5]dec-7-en-9-one?
The canonical SMILES for 7-(4-methoxyphenyl)-6,10-dioxaspiro[4.5]dec-7-en-9-one is COc1ccc(C2=CC(=O)OC3(CCCC3)O2)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-6,10-dioxaspiro[4.5]dec-7-en-9-one?
The InChIKey is AURFQIWFVGKEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-17-12-6-4-11(5-7-12)13-10-14(16)19-15(18-13)8-2-3-9-15/h4-7,10H,2-3,8-9H2,1H3.
What are the key properties of 7-(4-methoxyphenyl)-6,10-dioxaspiro[4.5]dec-7-en-9-one?
7-(4-methoxyphenyl)-6,10-dioxaspiro[4.5]dec-7-en-9-one has a molecular weight of 260.29 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-6,10-dioxaspiro[4.5]dec-7-en-9-one is sourced from PubChem (CID 752487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).