1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[4-[2-(2-methoxyethoxy)ethoxy]phenoxy]ethoxy]-5-methylphenyl]-4-methylbenzene

C34H46O9 — CID 146179403

IUPAC1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[4-[2-(2-methoxyethoxy)ethoxy]phenoxy]ethoxy]-5-methylphenyl]-4-methylbenzene
SMILESCOCCOCCOCCOc1ccc(C)cc1-c1cc(C)ccc1OCCOc1ccc(OCCOCCOC)cc1
InChIInChI=1S/C34H46O9/c1-27-5-11-33(42-22-20-39-18-17-37-15-13-35-3)31(25-27)32-26-28(2)6-12-34(32)43-24-23-41-30-9-7-29(8-10-30)40-21-19-38-16-14-36-4/h5-12,25-26H,13-24H2,1-4H3
InChIKeyCFHZWONYFICGFE-UHFFFAOYSA-N
MW598.73 g/mol
LogP5.53
Rot. Bonds23

About 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[4-[2-(2-methoxyethoxy)ethoxy]phenoxy]ethoxy]-5-methylphenyl]-4-methylbenzene

1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[4-[2-(2-methoxyethoxy)ethoxy]phenoxy]ethoxy]-5-methylphenyl]-4-methylbenzene (PubChem CID 146179403) has the molecular formula C34H46O9 and a molecular weight of 598.73 g/mol. Its IUPAC name is 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[4-[2-(2-methoxyethoxy)ethoxy]phenoxy]ethoxy]-5-methylphenyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[4-[2-(2-methoxyethoxy)ethoxy]phenoxy]ethoxy]-5-methylphenyl]-4-methylbenzene
PubChem CID146179403
Molecular FormulaC34H46O9
Molecular Weight598.73 g/mol
Exact Mass598.31
IUPAC Name1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[4-[2-(2-methoxyethoxy)ethoxy]phenoxy]ethoxy]-5-methylphenyl]-4-methylbenzene
SMILESCOCCOCCOCCOc1ccc(C)cc1-c1cc(C)ccc1OCCOc1ccc(OCCOCCOC)cc1
InChIInChI=1S/C34H46O9/c1-27-5-11-33(42-22-20-39-18-17-37-15-13-35-3)31(25-27)32-26-28(2)6-12-34(32)43-24-23-41-30-9-7-29(8-10-30)40-21-19-38-16-14-36-4/h5-12,25-26H,13-24H2,1-4H3
InChIKeyCFHZWONYFICGFE-UHFFFAOYSA-N
XLogP5.53
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds23
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.73
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[4-[2-(2-methoxyethoxy)ethoxy]phenoxy]ethoxy]-5-methylphenyl]-4-methylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2-methoxyethoxy)ethoxy]-2,4-dimethylbenzene
CID 64764967
1-[2-(2-methoxyethoxy)ethoxy]-3-[2-(4-methylphenoxy)ethoxy]benzene
CID 134579491
1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 22218704
[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-methylphenyl]boronic acid
CID 104564329
2-[5-[4-[2-(2-methoxyethoxy)ethoxy]-3-[2-[2-(2-methoxyethoxy)ethoxy]-5-methylphenyl]phenyl]-3,4-dimethylthiophen-2-yl]-3,4-dimethyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene
CID 169014038
N-methyl-2-[2-[2-[2-[4-methyl-2-[5-methyl-2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]phenyl]phenoxy]ethoxy]ethoxy]ethoxy]acetamide
CID 135216825
1-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]-2,4-dimethylbenzene
CID 142961182
1-[2-(3-methoxypropoxy)ethoxy]-2,4-dimethylbenzene
CID 103184397
2-bromo-1-[3-(2-methoxyethoxy)propoxy]-4-methylbenzene
CID 103409894
2-[2-(2-methoxyethoxy)ethoxy]-4-methylbenzenecarboximidamide
CID 113426988
2-(2-methoxyethoxy)-5-methylphenol
CID 89108915
1-[4-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]-3,7-dimethylnaphthalene
CID 126699664

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[4-[2-(2-methoxyethoxy)ethoxy]phenoxy]ethoxy]-5-methylphenyl]-4-methylbenzene?
The IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[4-[2-(2-methoxyethoxy)ethoxy]phenoxy]ethoxy]-5-methylphenyl]-4-methylbenzene (CID 146179403) is 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[4-[2-(2-methoxyethoxy)ethoxy]phenoxy]ethoxy]-5-methylphenyl]-4-methylbenzene.
What is the SMILES notation for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[4-[2-(2-methoxyethoxy)ethoxy]phenoxy]ethoxy]-5-methylphenyl]-4-methylbenzene?
The canonical SMILES for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[4-[2-(2-methoxyethoxy)ethoxy]phenoxy]ethoxy]-5-methylphenyl]-4-methylbenzene is COCCOCCOCCOc1ccc(C)cc1-c1cc(C)ccc1OCCOc1ccc(OCCOCCOC)cc1.
What is the InChIKey of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[4-[2-(2-methoxyethoxy)ethoxy]phenoxy]ethoxy]-5-methylphenyl]-4-methylbenzene?
The InChIKey is CFHZWONYFICGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46O9/c1-27-5-11-33(42-22-20-39-18-17-37-15-13-35-3)31(25-27)32-26-28(2)6-12-34(32)43-24-23-41-30-9-7-29(8-10-30)40-21-19-38-16-14-36-4/h5-12,25-26H,13-24H2,1-4H3.
What are the key properties of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[4-[2-(2-methoxyethoxy)ethoxy]phenoxy]ethoxy]-5-methylphenyl]-4-methylbenzene?
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[4-[2-(2-methoxyethoxy)ethoxy]phenoxy]ethoxy]-5-methylphenyl]-4-methylbenzene has a molecular weight of 598.73 g/mol, XLogP of 5.53, 23 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[4-[2-(2-methoxyethoxy)ethoxy]phenoxy]ethoxy]-5-methylphenyl]-4-methylbenzene is sourced from PubChem (CID 146179403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).