2-[1,3-bis(2,6-dimethylphenoxy)propan-2-yloxy]ethanol

C21H28O4 — CID 71201573

IUPAC2-[1,3-bis(2,6-dimethylphenoxy)propan-2-yloxy]ethanol
SMILESCc1cccc(C)c1OCC(COc1c(C)cccc1C)OCCO
InChIInChI=1S/C21H28O4/c1-15-7-5-8-16(2)20(15)24-13-19(23-12-11-22)14-25-21-17(3)9-6-10-18(21)4/h5-10,19,22H,11-14H2,1-4H3
InChIKeyNYSGQLNJJILYGX-UHFFFAOYSA-N
MW344.45 g/mol
LogP3.76
Rot. Bonds9

About 2-[1,3-bis(2,6-dimethylphenoxy)propan-2-yloxy]ethanol

2-[1,3-bis(2,6-dimethylphenoxy)propan-2-yloxy]ethanol (PubChem CID 71201573) has the molecular formula C21H28O4 and a molecular weight of 344.45 g/mol. Its IUPAC name is 2-[1,3-bis(2,6-dimethylphenoxy)propan-2-yloxy]ethanol.

Molecular Properties

Compound Name2-[1,3-bis(2,6-dimethylphenoxy)propan-2-yloxy]ethanol
PubChem CID71201573
Molecular FormulaC21H28O4
Molecular Weight344.45 g/mol
Exact Mass344.20
IUPAC Name2-[1,3-bis(2,6-dimethylphenoxy)propan-2-yloxy]ethanol
SMILESCc1cccc(C)c1OCC(COc1c(C)cccc1C)OCCO
InChIInChI=1S/C21H28O4/c1-15-7-5-8-16(2)20(15)24-13-19(23-12-11-22)14-25-21-17(3)9-6-10-18(21)4/h5-10,19,22H,11-14H2,1-4H3
InChIKeyNYSGQLNJJILYGX-UHFFFAOYSA-N
XLogP3.76
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,6-dimethylphenoxy)hexan-1-ol
CID 103801792
2-(2,2-diethoxyethoxy)-1,3-dimethylbenzene
CID 13416780
2-[2-(2-hydroxyethoxy)-3-methylphenoxy]ethanol
CID 139797700
2-[2-[1-[2-(2-hydroxyethoxy)-3-methylphenyl]propyl]-6-methylphenoxy]ethanol
CID 174987641
ethane;2-ethoxy-1,3-dimethylbenzene
CID 91163284
1-(2,6-dimethylphenoxy)-3-(3-hydroxypropylamino)propan-2-ol
CID 60633561
2-(2-isocyanopropoxy)-1,3-dimethylbenzene
CID 71319489
1-amino-3-(2,6-dimethylphenoxy)propan-2-ol;chloride;hydrate
CID 53314058
1,3-dimethyl-2-propoxybenzene
CID 579040
[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-dimethyl-propan-2-ylazanium
CID 3064892
2-[3-(2,6-dimethylphenoxy)propyl-methylamino]ethanol
CID 111121773
[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-dimethyl-propan-2-ylazanium iodide
CID 3064891

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-bis(2,6-dimethylphenoxy)propan-2-yloxy]ethanol?
The IUPAC name of 2-[1,3-bis(2,6-dimethylphenoxy)propan-2-yloxy]ethanol (CID 71201573) is 2-[1,3-bis(2,6-dimethylphenoxy)propan-2-yloxy]ethanol.
What is the SMILES notation for 2-[1,3-bis(2,6-dimethylphenoxy)propan-2-yloxy]ethanol?
The canonical SMILES for 2-[1,3-bis(2,6-dimethylphenoxy)propan-2-yloxy]ethanol is Cc1cccc(C)c1OCC(COc1c(C)cccc1C)OCCO.
What is the InChIKey of 2-[1,3-bis(2,6-dimethylphenoxy)propan-2-yloxy]ethanol?
The InChIKey is NYSGQLNJJILYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O4/c1-15-7-5-8-16(2)20(15)24-13-19(23-12-11-22)14-25-21-17(3)9-6-10-18(21)4/h5-10,19,22H,11-14H2,1-4H3.
What are the key properties of 2-[1,3-bis(2,6-dimethylphenoxy)propan-2-yloxy]ethanol?
2-[1,3-bis(2,6-dimethylphenoxy)propan-2-yloxy]ethanol has a molecular weight of 344.45 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-bis(2,6-dimethylphenoxy)propan-2-yloxy]ethanol is sourced from PubChem (CID 71201573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).