1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-4-[2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethynyl]benzene

C30H42O8 — CID 102087372

IUPAC1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-4-[2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethynyl]benzene
SMILESCOCCOCCOCCOCc1ccc(C#Cc2ccc(COCCOCCOCCOC)cc2)cc1
InChIInChI=1S/C30H42O8/c1-31-13-15-33-17-19-35-21-23-37-25-29-9-5-27(6-10-29)3-4-28-7-11-30(12-8-28)26-38-24-22-36-20-18-34-16-14-32-2/h5-12H,13-26H2,1-2H3
InChIKeyGYFFRMNJHIZYRR-UHFFFAOYSA-N
MW530.66 g/mol
LogP3.48
Rot. Bonds22

About 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-4-[2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethynyl]benzene

1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-4-[2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethynyl]benzene (PubChem CID 102087372) has the molecular formula C30H42O8 and a molecular weight of 530.66 g/mol. Its IUPAC name is 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-4-[2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethynyl]benzene.

Molecular Properties

Compound Name1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-4-[2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethynyl]benzene
PubChem CID102087372
Molecular FormulaC30H42O8
Molecular Weight530.66 g/mol
Exact Mass530.29
IUPAC Name1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-4-[2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethynyl]benzene
SMILESCOCCOCCOCCOCc1ccc(C#Cc2ccc(COCCOCCOCCOC)cc2)cc1
InChIInChI=1S/C30H42O8/c1-31-13-15-33-17-19-35-21-23-37-25-29-9-5-27(6-10-29)3-4-28-7-11-30(12-8-28)26-38-24-22-36-20-18-34-16-14-32-2/h5-12H,13-26H2,1-2H3
InChIKeyGYFFRMNJHIZYRR-UHFFFAOYSA-N
XLogP3.48
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.66
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-4-[2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethynyl]benzene 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

4-[2-(2-methoxyethoxy)ethoxymethyl]benzonitrile
CID 104561665
1-methoxy-4-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 102074732
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635
4-[2-(3-methoxypropoxy)ethoxymethyl]benzonitrile
CID 103177611
3-[2-[4-(2-methoxyethoxymethyl)phenyl]ethynyl]-1-azabicyclo[2.2.2]octane
CID 140968548
N-[[4-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]methyl]propan-2-amine
CID 104566770
2-[4-[3-(2-methoxyethoxy)propoxymethyl]phenyl]ethanamine
CID 103406557
1-hexoxy-4-(2-methoxyethoxymethyl)benzene
CID 90322136
2-(2-methoxyethoxy)ethanol;2-phenylmethoxyethanol
CID 138692115
1,3-bis(2-methoxyethoxymethyl)benzene
CID 14086847
4-(2-methoxyethoxymethyl)benzenecarbothioamide
CID 24697580
1-(2-methoxyethoxymethoxymethyl)-4-methylsulfanylbenzene
CID 101092504

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-4-[2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethynyl]benzene?
The IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-4-[2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethynyl]benzene (CID 102087372) is 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-4-[2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethynyl]benzene.
What is the SMILES notation for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-4-[2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethynyl]benzene?
The canonical SMILES for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-4-[2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethynyl]benzene is COCCOCCOCCOCc1ccc(C#Cc2ccc(COCCOCCOCCOC)cc2)cc1.
What is the InChIKey of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-4-[2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethynyl]benzene?
The InChIKey is GYFFRMNJHIZYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42O8/c1-31-13-15-33-17-19-35-21-23-37-25-29-9-5-27(6-10-29)3-4-28-7-11-30(12-8-28)26-38-24-22-36-20-18-34-16-14-32-2/h5-12H,13-26H2,1-2H3.
What are the key properties of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-4-[2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethynyl]benzene?
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-4-[2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethynyl]benzene has a molecular weight of 530.66 g/mol, XLogP of 3.48, 22 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-4-[2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethynyl]benzene is sourced from PubChem (CID 102087372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).