(2S,6R)-2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)ethyl]oxane

C21H26O3 — CID 162820309

IUPAC(2S,6R)-2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)ethyl]oxane
SMILESCOc1ccc(CC[C@H]2CCC[C@@H](c3ccc(OC)cc3)O2)cc1
InChIInChI=1S/C21H26O3/c1-22-18-11-6-16(7-12-18)8-13-20-4-3-5-21(24-20)17-9-14-19(23-2)15-10-17/h6-7,9-12,14-15,20-21H,3-5,8,13H2,1-2H3/t20-,21+/m1/s1
InChIKeySXKCFMYNSDVGSD-RTWAWAEBSA-N
MW326.44 g/mol
LogP4.95
Rot. Bonds6

About (2S,6R)-2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)ethyl]oxane

(2S,6R)-2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)ethyl]oxane (PubChem CID 162820309) has the molecular formula C21H26O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is (2S,6R)-2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)ethyl]oxane.

Molecular Properties

Compound Name(2S,6R)-2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)ethyl]oxane
PubChem CID162820309
Molecular FormulaC21H26O3
Molecular Weight326.44 g/mol
Exact Mass326.19
IUPAC Name(2S,6R)-2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)ethyl]oxane
SMILESCOc1ccc(CC[C@H]2CCC[C@@H](c3ccc(OC)cc3)O2)cc1
InChIInChI=1S/C21H26O3/c1-22-18-11-6-16(7-12-18)8-13-20-4-3-5-21(24-20)17-9-14-19(23-2)15-10-17/h6-7,9-12,14-15,20-21H,3-5,8,13H2,1-2H3/t20-,21+/m1/s1
InChIKeySXKCFMYNSDVGSD-RTWAWAEBSA-N
XLogP4.95
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[(2R,6S)-6-(4-hydroxyphenyl)oxan-2-yl]ethyl]phenol
CID 14427397
(2R,4S,6R)-2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)ethyl]oxan-4-ol
CID 122367194
2-methoxy-6-(4-methoxyphenyl)oxane
CID 68556423
2-[(2S,6R)-6-(4-methoxyphenyl)oxan-2-yl]-1-(4-phenylmethoxyphenyl)ethanone
CID 71726184
(2R,5R)-2-[(4-methoxyphenyl)methyl]-5-phenyloxolane
CID 11425650
4-methoxy-2-[2-(4-methoxyphenyl)ethyl]-3,6-dihydro-2H-pyran-6-ol
CID 134508325
(2S,5R)-2-(4-fluorophenyl)-5-(4-methoxyphenyl)oxolane
CID 11807821
cis-(1R,3R)-3-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 11506917
3-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 65444252
2-[2-(4-methoxyphenyl)ethyl]-5-(4-methylcyclohexyl)oxane
CID 143210053
[2-[2-(4-methoxyphenyl)ethyl]cycloheptyl]methanamine
CID 81010620
2-[2-(4-methoxyphenyl)ethyl]-5-pentyl-1,4-dioxane
CID 57282111

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)ethyl]oxane?
The IUPAC name of (2S,6R)-2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)ethyl]oxane (CID 162820309) is (2S,6R)-2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)ethyl]oxane.
What is the SMILES notation for (2S,6R)-2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)ethyl]oxane?
The canonical SMILES for (2S,6R)-2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)ethyl]oxane is COc1ccc(CC[C@H]2CCC[C@@H](c3ccc(OC)cc3)O2)cc1.
What is the InChIKey of (2S,6R)-2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)ethyl]oxane?
The InChIKey is SXKCFMYNSDVGSD-RTWAWAEBSA-N. The full InChI is InChI=1S/C21H26O3/c1-22-18-11-6-16(7-12-18)8-13-20-4-3-5-21(24-20)17-9-14-19(23-2)15-10-17/h6-7,9-12,14-15,20-21H,3-5,8,13H2,1-2H3/t20-,21+/m1/s1.
What are the key properties of (2S,6R)-2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)ethyl]oxane?
(2S,6R)-2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)ethyl]oxane has a molecular weight of 326.44 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)ethyl]oxane is sourced from PubChem (CID 162820309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).