2-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-1-methyl-4-propan-2-ylbenzene

C22H30O4 — CID 2283913

IUPAC2-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-1-methyl-4-propan-2-ylbenzene
SMILESCCOc1ccccc1OCCOCCOc1cc(C(C)C)ccc1C
InChIInChI=1S/C22H30O4/c1-5-24-20-8-6-7-9-21(20)25-14-12-23-13-15-26-22-16-19(17(2)3)11-10-18(22)4/h6-11,16-17H,5,12-15H2,1-4H3
InChIKeyGDVRGSVDKYGQRX-UHFFFAOYSA-N
MW358.48 g/mol
LogP4.99
Rot. Bonds11

About 2-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-1-methyl-4-propan-2-ylbenzene

2-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-1-methyl-4-propan-2-ylbenzene (PubChem CID 2283913) has the molecular formula C22H30O4 and a molecular weight of 358.48 g/mol. Its IUPAC name is 2-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-1-methyl-4-propan-2-ylbenzene.

Molecular Properties

Compound Name2-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-1-methyl-4-propan-2-ylbenzene
PubChem CID2283913
Molecular FormulaC22H30O4
Molecular Weight358.48 g/mol
Exact Mass358.21
IUPAC Name2-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-1-methyl-4-propan-2-ylbenzene
SMILESCCOc1ccccc1OCCOCCOc1cc(C(C)C)ccc1C
InChIInChI=1S/C22H30O4/c1-5-24-20-8-6-7-9-21(20)25-14-12-23-13-15-26-22-16-19(17(2)3)11-10-18(22)4/h6-11,16-17H,5,12-15H2,1-4H3
InChIKeyGDVRGSVDKYGQRX-UHFFFAOYSA-N
XLogP4.99
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-methoxyphenoxy)ethoxy]-1-methyl-4-propan-2-ylbenzene
CID 2283991
2-[3-(2-methoxyphenoxy)propoxy]-1-methyl-4-propan-2-ylbenzene
CID 2285673
2-[2-(3-methoxypropoxy)ethoxy]-1-methyl-4-propan-2-ylbenzene
CID 103184405
1-methyl-4-propan-2-yl-2-propoxybenzene
CID 78907679
N-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]butan-1-amine
CID 2276631
2-(2-methoxyethoxy)-1-methyl-4-propan-2-ylbenzene
CID 112722468
2-(ethoxymethoxy)-1-methyl-4-propan-2-ylbenzene
CID 81005195
N'-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]ethane-1,2-diamine
CID 2276634
2-hexoxy-1-methyl-4-propan-2-ylbenzene
CID 81004927
N-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]propan-2-amine
CID 3850725
N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)ethanamine
CID 61035897
N-methyl-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-amine
CID 61036143

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-1-methyl-4-propan-2-ylbenzene?
The IUPAC name of 2-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-1-methyl-4-propan-2-ylbenzene (CID 2283913) is 2-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-1-methyl-4-propan-2-ylbenzene.
What is the SMILES notation for 2-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-1-methyl-4-propan-2-ylbenzene?
The canonical SMILES for 2-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-1-methyl-4-propan-2-ylbenzene is CCOc1ccccc1OCCOCCOc1cc(C(C)C)ccc1C.
What is the InChIKey of 2-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-1-methyl-4-propan-2-ylbenzene?
The InChIKey is GDVRGSVDKYGQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O4/c1-5-24-20-8-6-7-9-21(20)25-14-12-23-13-15-26-22-16-19(17(2)3)11-10-18(22)4/h6-11,16-17H,5,12-15H2,1-4H3.
What are the key properties of 2-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-1-methyl-4-propan-2-ylbenzene?
2-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-1-methyl-4-propan-2-ylbenzene has a molecular weight of 358.48 g/mol, XLogP of 4.99, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-1-methyl-4-propan-2-ylbenzene is sourced from PubChem (CID 2283913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).