2-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]-4-methyl-1-propan-2-ylbenzene

C21H28O4 — CID 2283471

IUPAC2-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]-4-methyl-1-propan-2-ylbenzene
SMILESCOc1cccc(OCCOCCOc2cc(C)ccc2C(C)C)c1
InChIInChI=1S/C21H28O4/c1-16(2)20-9-8-17(3)14-21(20)25-13-11-23-10-12-24-19-7-5-6-18(15-19)22-4/h5-9,14-16H,10-13H2,1-4H3
InChIKeyWOIBMLQOXGIZAD-UHFFFAOYSA-N
MW344.45 g/mol
LogP4.60
Rot. Bonds10

About 2-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]-4-methyl-1-propan-2-ylbenzene

2-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]-4-methyl-1-propan-2-ylbenzene (PubChem CID 2283471) has the molecular formula C21H28O4 and a molecular weight of 344.45 g/mol. Its IUPAC name is 2-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]-4-methyl-1-propan-2-ylbenzene.

Molecular Properties

Compound Name2-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]-4-methyl-1-propan-2-ylbenzene
PubChem CID2283471
Molecular FormulaC21H28O4
Molecular Weight344.45 g/mol
Exact Mass344.20
IUPAC Name2-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]-4-methyl-1-propan-2-ylbenzene
SMILESCOc1cccc(OCCOCCOc2cc(C)ccc2C(C)C)c1
InChIInChI=1S/C21H28O4/c1-16(2)20-9-8-17(3)14-21(20)25-13-11-23-10-12-24-19-7-5-6-18(15-19)22-4/h5-9,14-16H,10-13H2,1-4H3
InChIKeyWOIBMLQOXGIZAD-UHFFFAOYSA-N
XLogP4.60
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 54.60
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

1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2263044
2-chloro-1-[2-(3-methoxyphenoxy)ethoxy]-4-methylbenzene
CID 2898830
1-[4-(3-methoxyphenoxy)butyl]-2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazole
CID 16997655
1-[2-[2-(3-bromophenoxy)ethoxy]-4-methylphenyl]ethanamine
CID 63638903
1-[2-[2-(3-bromophenoxy)ethoxy]-4-methylphenyl]ethanol
CID 63650431
(1S)-1-[2-[2-(2-methoxyethoxy)ethoxy]-4-methylphenyl]ethanol
CID 78962768
2-(3-methoxyphenyl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 35001950
1-[2-(2-methoxyethoxy)ethoxy]-3-[2-(4-methylphenoxy)ethoxy]benzene
CID 134579491
1-chloro-4-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]naphthalene
CID 2898841
(3,5-dimethoxyphenyl) 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 8758790
2-methoxy-4-methyl-1-[2-[2-[3-(trifluoromethyl)phenoxy]ethoxy]ethoxy]benzene
CID 2284300
4-(2-ethoxyethoxy)-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]aniline
CID 54801159

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]-4-methyl-1-propan-2-ylbenzene?
The IUPAC name of 2-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]-4-methyl-1-propan-2-ylbenzene (CID 2283471) is 2-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]-4-methyl-1-propan-2-ylbenzene.
What is the SMILES notation for 2-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]-4-methyl-1-propan-2-ylbenzene?
The canonical SMILES for 2-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]-4-methyl-1-propan-2-ylbenzene is COc1cccc(OCCOCCOc2cc(C)ccc2C(C)C)c1.
What is the InChIKey of 2-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]-4-methyl-1-propan-2-ylbenzene?
The InChIKey is WOIBMLQOXGIZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O4/c1-16(2)20-9-8-17(3)14-21(20)25-13-11-23-10-12-24-19-7-5-6-18(15-19)22-4/h5-9,14-16H,10-13H2,1-4H3.
What are the key properties of 2-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]-4-methyl-1-propan-2-ylbenzene?
2-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]-4-methyl-1-propan-2-ylbenzene has a molecular weight of 344.45 g/mol, XLogP of 4.60, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]-4-methyl-1-propan-2-ylbenzene is sourced from PubChem (CID 2283471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).