8-[(4-phenylmethoxyphenyl)methylidene]-1,4-dioxaspiro[4.5]decane

C22H24O3 — CID 23150318

IUPAC8-[(4-phenylmethoxyphenyl)methylidene]-1,4-dioxaspiro[4.5]decane
SMILESC(=C1CCC2(CC1)OCCO2)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H24O3/c1-2-4-20(5-3-1)17-23-21-8-6-18(7-9-21)16-19-10-12-22(13-11-19)24-14-15-25-22/h1-9,16H,10-15,17H2
InChIKeyXRLJIQCGKUZEGS-UHFFFAOYSA-N
MW336.43 g/mol
LogP4.97
Rot. Bonds4

About 8-[(4-phenylmethoxyphenyl)methylidene]-1,4-dioxaspiro[4.5]decane

8-[(4-phenylmethoxyphenyl)methylidene]-1,4-dioxaspiro[4.5]decane (PubChem CID 23150318) has the molecular formula C22H24O3 and a molecular weight of 336.43 g/mol. Its IUPAC name is 8-[(4-phenylmethoxyphenyl)methylidene]-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(4-phenylmethoxyphenyl)methylidene]-1,4-dioxaspiro[4.5]decane
PubChem CID23150318
Molecular FormulaC22H24O3
Molecular Weight336.43 g/mol
Exact Mass336.17
IUPAC Name8-[(4-phenylmethoxyphenyl)methylidene]-1,4-dioxaspiro[4.5]decane
SMILESC(=C1CCC2(CC1)OCCO2)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H24O3/c1-2-4-20(5-3-1)17-23-21-8-6-18(7-9-21)16-19-10-12-22(13-11-19)24-14-15-25-22/h1-9,16H,10-15,17H2
InChIKeyXRLJIQCGKUZEGS-UHFFFAOYSA-N
XLogP4.97
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-[4-(4-phenylmethoxyphenyl)cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane
CID 130414791
1-(cyclohexa-2,4-dien-1-ylidenemethyl)-4-phenylmethoxybenzene
CID 152609738
CID 164583252
CID 164583252
1-(cyclohexylidenemethyl)-4-(2-phenoxyethoxy)benzene
CID 102082434
(4-phenylmethoxyphenyl) hypobromite
CID 151898979
8-(2-phenylmethoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 70007611
(5E)-1-phenyl-5-[(4-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 1354902
(4Z)-2-amino-3-methyl-4-[(4-phenylmethoxyphenyl)methylidene]-1H-imidazol-3-ium-5-one
CID 7524169
1-(4-phenylmethoxyphenyl)cyclopropan-1-ol
CID 130577384
1,3-bis(phenylmethoxy)-5-[2-(4-phenylmethoxyphenyl)ethenyl]benzene
CID 53395274
2-(4-phenylmethoxyphenyl)ethenone
CID 175186077
(2Z,6E)-4-methyl-2,6-bis[(4-phenylmethoxyphenyl)methylidene]cyclohexan-1-one
CID 17386127

Frequently Asked Questions

What is the IUPAC name of 8-[(4-phenylmethoxyphenyl)methylidene]-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-[(4-phenylmethoxyphenyl)methylidene]-1,4-dioxaspiro[4.5]decane (CID 23150318) is 8-[(4-phenylmethoxyphenyl)methylidene]-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-[(4-phenylmethoxyphenyl)methylidene]-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-[(4-phenylmethoxyphenyl)methylidene]-1,4-dioxaspiro[4.5]decane is C(=C1CCC2(CC1)OCCO2)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 8-[(4-phenylmethoxyphenyl)methylidene]-1,4-dioxaspiro[4.5]decane?
The InChIKey is XRLJIQCGKUZEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O3/c1-2-4-20(5-3-1)17-23-21-8-6-18(7-9-21)16-19-10-12-22(13-11-19)24-14-15-25-22/h1-9,16H,10-15,17H2.
What are the key properties of 8-[(4-phenylmethoxyphenyl)methylidene]-1,4-dioxaspiro[4.5]decane?
8-[(4-phenylmethoxyphenyl)methylidene]-1,4-dioxaspiro[4.5]decane has a molecular weight of 336.43 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-phenylmethoxyphenyl)methylidene]-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 23150318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).