1-methyl-4-[2-[4-[2-[2-[4-[2-(4-methylphenyl)ethyl]phenoxy]ethoxy]ethoxy]phenyl]ethyl]benzene

C34H38O3 — CID 139518655

IUPAC1-methyl-4-[2-[4-[2-[2-[4-[2-(4-methylphenyl)ethyl]phenoxy]ethoxy]ethoxy]phenyl]ethyl]benzene
SMILESCc1ccc(CCc2ccc(OCCOCCOc3ccc(CCc4ccc(C)cc4)cc3)cc2)cc1
InChIInChI=1S/C34H38O3/c1-27-3-7-29(8-4-27)11-13-31-15-19-33(20-16-31)36-25-23-35-24-26-37-34-21-17-32(18-22-34)14-12-30-9-5-28(2)6-10-30/h3-10,15-22H,11-14,23-26H2,1-2H3
InChIKeyJSHPAMZIYMYIJU-UHFFFAOYSA-N
MW494.68 g/mol
LogP7.35
Rot. Bonds14

About 1-methyl-4-[2-[4-[2-[2-[4-[2-(4-methylphenyl)ethyl]phenoxy]ethoxy]ethoxy]phenyl]ethyl]benzene

1-methyl-4-[2-[4-[2-[2-[4-[2-(4-methylphenyl)ethyl]phenoxy]ethoxy]ethoxy]phenyl]ethyl]benzene (PubChem CID 139518655) has the molecular formula C34H38O3 and a molecular weight of 494.68 g/mol. Its IUPAC name is 1-methyl-4-[2-[4-[2-[2-[4-[2-(4-methylphenyl)ethyl]phenoxy]ethoxy]ethoxy]phenyl]ethyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[2-[4-[2-[2-[4-[2-(4-methylphenyl)ethyl]phenoxy]ethoxy]ethoxy]phenyl]ethyl]benzene
PubChem CID139518655
Molecular FormulaC34H38O3
Molecular Weight494.68 g/mol
Exact Mass494.28
IUPAC Name1-methyl-4-[2-[4-[2-[2-[4-[2-(4-methylphenyl)ethyl]phenoxy]ethoxy]ethoxy]phenyl]ethyl]benzene
SMILESCc1ccc(CCc2ccc(OCCOCCOc3ccc(CCc4ccc(C)cc4)cc3)cc2)cc1
InChIInChI=1S/C34H38O3/c1-27-3-7-29(8-4-27)11-13-31-15-19-33(20-16-31)36-25-23-35-24-26-37-34-21-17-32(18-22-34)14-12-30-9-5-28(2)6-10-30/h3-10,15-22H,11-14,23-26H2,1-2H3
InChIKeyJSHPAMZIYMYIJU-UHFFFAOYSA-N
XLogP7.35
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.68
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methyl-4-[2-(2-propoxyethoxy)ethoxy]benzene
CID 58462382
1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-4-methylbenzene
CID 104567700
1-(2-butoxyethoxy)-4-methylbenzene
CID 64765824
2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 71104188
3-[4-[2-[2-[2-[4-[tris(4-methylphenyl)methyl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]propan-1-ol
CID 11721571
1-(2-ethoxyethyl)-4-[2-[2-[4-(2-ethoxyethyl)phenoxy]ethoxy]ethoxy]benzene
CID 70366041
1-(bromomethyl)-4-[2-(4-methylphenyl)ethoxy]benzene
CID 59435282
1-methyl-4-[2-[4-(4-methylphenoxy)phenyl]ethyl]benzene
CID 126542735
1-butyl-4-(2-propoxyethoxy)benzene
CID 118150005
1-methyl-4-(2-phenylethoxy)benzene;dihydrochloride
CID 174678575
2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanamine
CID 152682360

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-[4-[2-[2-[4-[2-(4-methylphenyl)ethyl]phenoxy]ethoxy]ethoxy]phenyl]ethyl]benzene?
The IUPAC name of 1-methyl-4-[2-[4-[2-[2-[4-[2-(4-methylphenyl)ethyl]phenoxy]ethoxy]ethoxy]phenyl]ethyl]benzene (CID 139518655) is 1-methyl-4-[2-[4-[2-[2-[4-[2-(4-methylphenyl)ethyl]phenoxy]ethoxy]ethoxy]phenyl]ethyl]benzene.
What is the SMILES notation for 1-methyl-4-[2-[4-[2-[2-[4-[2-(4-methylphenyl)ethyl]phenoxy]ethoxy]ethoxy]phenyl]ethyl]benzene?
The canonical SMILES for 1-methyl-4-[2-[4-[2-[2-[4-[2-(4-methylphenyl)ethyl]phenoxy]ethoxy]ethoxy]phenyl]ethyl]benzene is Cc1ccc(CCc2ccc(OCCOCCOc3ccc(CCc4ccc(C)cc4)cc3)cc2)cc1.
What is the InChIKey of 1-methyl-4-[2-[4-[2-[2-[4-[2-(4-methylphenyl)ethyl]phenoxy]ethoxy]ethoxy]phenyl]ethyl]benzene?
The InChIKey is JSHPAMZIYMYIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38O3/c1-27-3-7-29(8-4-27)11-13-31-15-19-33(20-16-31)36-25-23-35-24-26-37-34-21-17-32(18-22-34)14-12-30-9-5-28(2)6-10-30/h3-10,15-22H,11-14,23-26H2,1-2H3.
What are the key properties of 1-methyl-4-[2-[4-[2-[2-[4-[2-(4-methylphenyl)ethyl]phenoxy]ethoxy]ethoxy]phenyl]ethyl]benzene?
1-methyl-4-[2-[4-[2-[2-[4-[2-(4-methylphenyl)ethyl]phenoxy]ethoxy]ethoxy]phenyl]ethyl]benzene has a molecular weight of 494.68 g/mol, XLogP of 7.35, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-[4-[2-[2-[4-[2-(4-methylphenyl)ethyl]phenoxy]ethoxy]ethoxy]phenyl]ethyl]benzene is sourced from PubChem (CID 139518655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).