1-[2-(2-methoxyethoxy)ethoxy]-3-[2-(4-methylphenoxy)ethoxy]benzene

C20H26O5 — CID 134579491

IUPAC1-[2-(2-methoxyethoxy)ethoxy]-3-[2-(4-methylphenoxy)ethoxy]benzene
SMILESCOCCOCCOc1cccc(OCCOc2ccc(C)cc2)c1
InChIInChI=1S/C20H26O5/c1-17-6-8-18(9-7-17)23-14-15-25-20-5-3-4-19(16-20)24-13-12-22-11-10-21-2/h3-9,16H,10-15H2,1-2H3
InChIKeyUDKIUCXLXLSEIS-UHFFFAOYSA-N
MW346.42 g/mol
LogP3.49
Rot. Bonds12

About 1-[2-(2-methoxyethoxy)ethoxy]-3-[2-(4-methylphenoxy)ethoxy]benzene

1-[2-(2-methoxyethoxy)ethoxy]-3-[2-(4-methylphenoxy)ethoxy]benzene (PubChem CID 134579491) has the molecular formula C20H26O5 and a molecular weight of 346.42 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)ethoxy]-3-[2-(4-methylphenoxy)ethoxy]benzene.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)ethoxy]-3-[2-(4-methylphenoxy)ethoxy]benzene
PubChem CID134579491
Molecular FormulaC20H26O5
Molecular Weight346.42 g/mol
Exact Mass346.18
IUPAC Name1-[2-(2-methoxyethoxy)ethoxy]-3-[2-(4-methylphenoxy)ethoxy]benzene
SMILESCOCCOCCOc1cccc(OCCOc2ccc(C)cc2)c1
InChIInChI=1S/C20H26O5/c1-17-6-8-18(9-7-17)23-14-15-25-20-5-3-4-19(16-20)24-13-12-22-11-10-21-2/h3-9,16H,10-15H2,1-2H3
InChIKeyUDKIUCXLXLSEIS-UHFFFAOYSA-N
XLogP3.49
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 22218704
1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2263044
ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 154643071
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[4-[2-(2-methoxyethoxy)ethoxy]phenoxy]ethoxy]-5-methylphenyl]-4-methylbenzene
CID 146179403
1-bromo-3-[2-(2-methoxyethoxy)ethoxy]benzene;ethane
CID 144931224
1,3-bis[2-[2-(4-ethylphenoxy)ethoxy]ethoxy]benzene
CID 102046454
3-(2-methoxyethoxy)-N-[2-(4-methylphenoxy)propyl]aniline
CID 54803087
1,3-bis[2-(2-ethoxyethoxy)ethoxy]benzene
CID 118036057
1-methyl-4-[2-(2-propoxyethoxy)ethoxy]benzene
CID 58462382
1-bromo-3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]benzene
CID 103404159
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde
CID 87722471
1-[2-(2-methoxyethoxy)ethoxy]-3-(2-methylphenyl)benzene
CID 57485291

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)ethoxy]-3-[2-(4-methylphenoxy)ethoxy]benzene?
The IUPAC name of 1-[2-(2-methoxyethoxy)ethoxy]-3-[2-(4-methylphenoxy)ethoxy]benzene (CID 134579491) is 1-[2-(2-methoxyethoxy)ethoxy]-3-[2-(4-methylphenoxy)ethoxy]benzene.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)ethoxy]-3-[2-(4-methylphenoxy)ethoxy]benzene?
The canonical SMILES for 1-[2-(2-methoxyethoxy)ethoxy]-3-[2-(4-methylphenoxy)ethoxy]benzene is COCCOCCOc1cccc(OCCOc2ccc(C)cc2)c1.
What is the InChIKey of 1-[2-(2-methoxyethoxy)ethoxy]-3-[2-(4-methylphenoxy)ethoxy]benzene?
The InChIKey is UDKIUCXLXLSEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O5/c1-17-6-8-18(9-7-17)23-14-15-25-20-5-3-4-19(16-20)24-13-12-22-11-10-21-2/h3-9,16H,10-15H2,1-2H3.
What are the key properties of 1-[2-(2-methoxyethoxy)ethoxy]-3-[2-(4-methylphenoxy)ethoxy]benzene?
1-[2-(2-methoxyethoxy)ethoxy]-3-[2-(4-methylphenoxy)ethoxy]benzene has a molecular weight of 346.42 g/mol, XLogP of 3.49, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)ethoxy]-3-[2-(4-methylphenoxy)ethoxy]benzene is sourced from PubChem (CID 134579491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).