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

C22H22O4 — CID 90987552

IUPAC3-[4-(3-methoxyphenyl)phenyl]-1-oxaspiro[4.5]decane-2,4-dione
SMILESCOc1cccc(-c2ccc(C3C(=O)OC4(CCCCC4)C3=O)cc2)c1
InChIInChI=1S/C22H22O4/c1-25-18-7-5-6-17(14-18)15-8-10-16(11-9-15)19-20(23)22(26-21(19)24)12-3-2-4-13-22/h5-11,14,19H,2-4,12-13H2,1H3
InChIKeyJLNGYFWRGHZATE-UHFFFAOYSA-N
MW350.41 g/mol
LogP4.27
Rot. Bonds3

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

3-[4-(3-methoxyphenyl)phenyl]-1-oxaspiro[4.5]decane-2,4-dione (PubChem CID 90987552) has the molecular formula C22H22O4 and a molecular weight of 350.41 g/mol. Its IUPAC name is 3-[4-(3-methoxyphenyl)phenyl]-1-oxaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[4-(3-methoxyphenyl)phenyl]-1-oxaspiro[4.5]decane-2,4-dione
PubChem CID90987552
Molecular FormulaC22H22O4
Molecular Weight350.41 g/mol
Exact Mass350.15
IUPAC Name3-[4-(3-methoxyphenyl)phenyl]-1-oxaspiro[4.5]decane-2,4-dione
SMILESCOc1cccc(-c2ccc(C3C(=O)OC4(CCCCC4)C3=O)cc2)c1
InChIInChI=1S/C22H22O4/c1-25-18-7-5-6-17(14-18)15-8-10-16(11-9-15)19-20(23)22(26-21(19)24)12-3-2-4-13-22/h5-11,14,19H,2-4,12-13H2,1H3
InChIKeyJLNGYFWRGHZATE-UHFFFAOYSA-N
XLogP4.27
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-methoxy-3-(4-methoxyphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione
CID 90771899
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
4-methoxyspiro[2-benzofuran-3,1'-cyclohexane]-1-one
CID 143197620
4-(3-methoxyphenyl)benzenesulfinate
CID 57318230
10-[5-(4-chlorophenyl)-2-methylphenyl]-4,12-dioxadispiro[4.2.48.25]tetradecane-9,11-dione
CID 53357361
[4-(3-methoxyphenyl)phenyl]methanamine;hydrochloride
CID 71432523
3-[4-(3-methoxyphenyl)phenyl]piperidin-3-ol
CID 19424700
4-[4-(3-methoxyphenyl)phenyl]oxane-4-carboxylic acid
CID 169449694
1-[4-(3-methoxyphenyl)phenyl]pyrrolidine
CID 168512705

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methoxyphenyl)phenyl]-1-oxaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[4-(3-methoxyphenyl)phenyl]-1-oxaspiro[4.5]decane-2,4-dione (CID 90987552) is 3-[4-(3-methoxyphenyl)phenyl]-1-oxaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[4-(3-methoxyphenyl)phenyl]-1-oxaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[4-(3-methoxyphenyl)phenyl]-1-oxaspiro[4.5]decane-2,4-dione is COc1cccc(-c2ccc(C3C(=O)OC4(CCCCC4)C3=O)cc2)c1.
What is the InChIKey of 3-[4-(3-methoxyphenyl)phenyl]-1-oxaspiro[4.5]decane-2,4-dione?
The InChIKey is JLNGYFWRGHZATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O4/c1-25-18-7-5-6-17(14-18)15-8-10-16(11-9-15)19-20(23)22(26-21(19)24)12-3-2-4-13-22/h5-11,14,19H,2-4,12-13H2,1H3.
What are the key properties of 3-[4-(3-methoxyphenyl)phenyl]-1-oxaspiro[4.5]decane-2,4-dione?
3-[4-(3-methoxyphenyl)phenyl]-1-oxaspiro[4.5]decane-2,4-dione has a molecular weight of 350.41 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methoxyphenyl)phenyl]-1-oxaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 90987552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).