2-[(4-methoxyphenoxy)methyl]-1,4,7,10,13,16-hexaoxacyclooctadecane

C20H32O8 — CID 102286855

IUPAC2-[(4-methoxyphenoxy)methyl]-1,4,7,10,13,16-hexaoxacyclooctadecane
SMILESCOc1ccc(OCC2COCCOCCOCCOCCOCCO2)cc1
InChIInChI=1S/C20H32O8/c1-21-18-2-4-19(5-3-18)28-17-20-16-26-13-12-24-9-8-22-6-7-23-10-11-25-14-15-27-20/h2-5,20H,6-17H2,1H3
InChIKeyHWWWTTJGNLVZAR-UHFFFAOYSA-N
MW400.47 g/mol
LogP1.56
Rot. Bonds4

About 2-[(4-methoxyphenoxy)methyl]-1,4,7,10,13,16-hexaoxacyclooctadecane

2-[(4-methoxyphenoxy)methyl]-1,4,7,10,13,16-hexaoxacyclooctadecane (PubChem CID 102286855) has the molecular formula C20H32O8 and a molecular weight of 400.47 g/mol. Its IUPAC name is 2-[(4-methoxyphenoxy)methyl]-1,4,7,10,13,16-hexaoxacyclooctadecane.

Molecular Properties

Compound Name2-[(4-methoxyphenoxy)methyl]-1,4,7,10,13,16-hexaoxacyclooctadecane
PubChem CID102286855
Molecular FormulaC20H32O8
Molecular Weight400.47 g/mol
Exact Mass400.21
IUPAC Name2-[(4-methoxyphenoxy)methyl]-1,4,7,10,13,16-hexaoxacyclooctadecane
SMILESCOc1ccc(OCC2COCCOCCOCCOCCOCCO2)cc1
InChIInChI=1S/C20H32O8/c1-21-18-2-4-19(5-3-18)28-17-20-16-26-13-12-24-9-8-22-6-7-23-10-11-25-14-15-27-20/h2-5,20H,6-17H2,1H3
InChIKeyHWWWTTJGNLVZAR-UHFFFAOYSA-N
XLogP1.56
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.47
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(4-methoxyphenyl)methyl]-1,4,7,10,13-pentaoxacyclopentadecane
CID 102057404
1-[2-(1,4-dioxan-2-yl)ethyl]-4-[(4-methoxyphenoxy)methyl]piperidine
CID 138807936
2-chloro-4-(1,4-dioxan-2-ylmethoxy)-6-methoxypyridine
CID 164856462
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
5,10,15-tris(4-methylphenyl)-20-[4-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethoxy)phenyl]-21,23-dihydroporphyrin
CID 136913274
2-(chloromethyl)oxirane;4-methoxyphenol;2-[(4-methoxyphenoxy)methyl]oxirane
CID 157284008
2-[[3-methoxy-4-methyl-5-[4-(2,2,2-trifluoroethoxy)phenyl]phenoxy]methyl]-1,4-dioxane
CID 164856629
3-[6-(1,4-dioxan-2-ylmethoxy)naphthalen-2-yl]-1-methylpyrazole
CID 175643181
anisole;bis(1,4-diethylbenzene);ethane;2-(phenoxymethyl)oxirane
CID 157404287
2-[(4-methylphenoxy)methyl]oxirane;propane
CID 90972730
2-(1,4-dioxan-2-ylmethoxy)-4,5-dimethoxy-3-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine
CID 164856080
2-[[4-(2-methoxyethoxymethoxy)phenoxy]methyl]oxirane
CID 74928009

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenoxy)methyl]-1,4,7,10,13,16-hexaoxacyclooctadecane?
The IUPAC name of 2-[(4-methoxyphenoxy)methyl]-1,4,7,10,13,16-hexaoxacyclooctadecane (CID 102286855) is 2-[(4-methoxyphenoxy)methyl]-1,4,7,10,13,16-hexaoxacyclooctadecane.
What is the SMILES notation for 2-[(4-methoxyphenoxy)methyl]-1,4,7,10,13,16-hexaoxacyclooctadecane?
The canonical SMILES for 2-[(4-methoxyphenoxy)methyl]-1,4,7,10,13,16-hexaoxacyclooctadecane is COc1ccc(OCC2COCCOCCOCCOCCOCCO2)cc1.
What is the InChIKey of 2-[(4-methoxyphenoxy)methyl]-1,4,7,10,13,16-hexaoxacyclooctadecane?
The InChIKey is HWWWTTJGNLVZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O8/c1-21-18-2-4-19(5-3-18)28-17-20-16-26-13-12-24-9-8-22-6-7-23-10-11-25-14-15-27-20/h2-5,20H,6-17H2,1H3.
What are the key properties of 2-[(4-methoxyphenoxy)methyl]-1,4,7,10,13,16-hexaoxacyclooctadecane?
2-[(4-methoxyphenoxy)methyl]-1,4,7,10,13,16-hexaoxacyclooctadecane has a molecular weight of 400.47 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenoxy)methyl]-1,4,7,10,13,16-hexaoxacyclooctadecane is sourced from PubChem (CID 102286855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).