(2S)-2-(4-methoxyphenyl)-1,3-dioxaspiro[5.5]undecane

C16H22O3 — CID 915634

IUPAC(2S)-2-(4-methoxyphenyl)-1,3-dioxaspiro[5.5]undecane
SMILESCOc1ccc([C@H]2OCCC3(CCCCC3)O2)cc1
InChIInChI=1S/C16H22O3/c1-17-14-7-5-13(6-8-14)15-18-12-11-16(19-15)9-3-2-4-10-16/h5-8,15H,2-4,9-12H2,1H3/t15-/m0/s1
InChIKeyFOWCOJSCFPMEBD-HNNXBMFYSA-N
MW262.35 g/mol
LogP3.83
Rot. Bonds2

About (2S)-2-(4-methoxyphenyl)-1,3-dioxaspiro[5.5]undecane

(2S)-2-(4-methoxyphenyl)-1,3-dioxaspiro[5.5]undecane (PubChem CID 915634) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2S)-2-(4-methoxyphenyl)-1,3-dioxaspiro[5.5]undecane.

Molecular Properties

Compound Name(2S)-2-(4-methoxyphenyl)-1,3-dioxaspiro[5.5]undecane
PubChem CID915634
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name(2S)-2-(4-methoxyphenyl)-1,3-dioxaspiro[5.5]undecane
SMILESCOc1ccc([C@H]2OCCC3(CCCCC3)O2)cc1
InChIInChI=1S/C16H22O3/c1-17-14-7-5-13(6-8-14)15-18-12-11-16(19-15)9-3-2-4-10-16/h5-8,15H,2-4,9-12H2,1H3/t15-/m0/s1
InChIKeyFOWCOJSCFPMEBD-HNNXBMFYSA-N
XLogP3.83
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-1,3-dioxaspiro[5.5]undecane
CID 586240
2-(4-methoxyphenyl)-1-oxaspiro[4.5]decan-4-one
CID 71394804
(1R,4R)-1,2-bis(4-methoxyphenyl)-5-oxa-2-azaspiro[3.4]octan-3-one
CID 101180547
2-(4-methoxyphenyl)-1,3-dioxan-5-ol
CID 13478629
2-(4-methoxyphenyl)-5-methylidene-1,3-dioxane
CID 18704700
1,2-bis(4-methoxyphenyl)-2-azaspiro[3.4]octan-3-one
CID 2945930
(4S)-4-(4-methoxyphenyl)-2-azaspiro[4.4]nonan-1-one
CID 125451516
1-[(2S,4S)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]ethanone
CID 11031862
(4R,6R)-2-(4-methoxyphenyl)-4,6-dimethyl-1,3-dioxane
CID 25233008
CID 59269508
CID 59269508
(2S,4R,5R)-4-[(2R,4R,5R)-5-hydroxy-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]-2-(4-methoxyphenyl)-1,3-dioxan-5-ol
CID 86310159
5-(4-methoxyphenyl)-3-methyl-1-oxa-3-azaspiro[5.5]undecane
CID 2817659

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methoxyphenyl)-1,3-dioxaspiro[5.5]undecane?
The IUPAC name of (2S)-2-(4-methoxyphenyl)-1,3-dioxaspiro[5.5]undecane (CID 915634) is (2S)-2-(4-methoxyphenyl)-1,3-dioxaspiro[5.5]undecane.
What is the SMILES notation for (2S)-2-(4-methoxyphenyl)-1,3-dioxaspiro[5.5]undecane?
The canonical SMILES for (2S)-2-(4-methoxyphenyl)-1,3-dioxaspiro[5.5]undecane is COc1ccc([C@H]2OCCC3(CCCCC3)O2)cc1.
What is the InChIKey of (2S)-2-(4-methoxyphenyl)-1,3-dioxaspiro[5.5]undecane?
The InChIKey is FOWCOJSCFPMEBD-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H22O3/c1-17-14-7-5-13(6-8-14)15-18-12-11-16(19-15)9-3-2-4-10-16/h5-8,15H,2-4,9-12H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-2-(4-methoxyphenyl)-1,3-dioxaspiro[5.5]undecane?
(2S)-2-(4-methoxyphenyl)-1,3-dioxaspiro[5.5]undecane has a molecular weight of 262.35 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methoxyphenyl)-1,3-dioxaspiro[5.5]undecane is sourced from PubChem (CID 915634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).