1-methoxy-4-[(4-methoxyphenyl)-phenyl-[3-[3-(4-phenylmethoxybutoxy)propoxy]propoxy]methyl]benzene

C38H46O6 — CID 175834590

IUPAC1-methoxy-4-[(4-methoxyphenyl)-phenyl-[3-[3-(4-phenylmethoxybutoxy)propoxy]propoxy]methyl]benzene
SMILESCOc1ccc(C(OCCCOCCCOCCCCOCc2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C38H46O6/c1-39-36-21-17-34(18-22-36)38(33-15-7-4-8-16-33,35-19-23-37(40-2)24-20-35)44-30-12-29-42-28-11-27-41-25-9-10-26-43-31-32-13-5-3-6-14-32/h3-8,13-24H,9-12,25-31H2,1-2H3
InChIKeySGIPNMXEXOQOSL-UHFFFAOYSA-N
MW598.78 g/mol
LogP7.82
Rot. Bonds21

About 1-methoxy-4-[(4-methoxyphenyl)-phenyl-[3-[3-(4-phenylmethoxybutoxy)propoxy]propoxy]methyl]benzene

1-methoxy-4-[(4-methoxyphenyl)-phenyl-[3-[3-(4-phenylmethoxybutoxy)propoxy]propoxy]methyl]benzene (PubChem CID 175834590) has the molecular formula C38H46O6 and a molecular weight of 598.78 g/mol. Its IUPAC name is 1-methoxy-4-[(4-methoxyphenyl)-phenyl-[3-[3-(4-phenylmethoxybutoxy)propoxy]propoxy]methyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[(4-methoxyphenyl)-phenyl-[3-[3-(4-phenylmethoxybutoxy)propoxy]propoxy]methyl]benzene
PubChem CID175834590
Molecular FormulaC38H46O6
Molecular Weight598.78 g/mol
Exact Mass598.33
IUPAC Name1-methoxy-4-[(4-methoxyphenyl)-phenyl-[3-[3-(4-phenylmethoxybutoxy)propoxy]propoxy]methyl]benzene
SMILESCOc1ccc(C(OCCCOCCCOCCCCOCc2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C38H46O6/c1-39-36-21-17-34(18-22-36)38(33-15-7-4-8-16-33,35-19-23-37(40-2)24-20-35)44-30-12-29-42-28-11-27-41-25-9-10-26-43-31-32-13-5-3-6-14-32/h3-8,13-24H,9-12,25-31H2,1-2H3
InChIKeySGIPNMXEXOQOSL-UHFFFAOYSA-N
XLogP7.82
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.78
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-methoxy-4-[(4-methoxyphenyl)-phenyl-[3-[3-(4-phenylmethoxybutoxy)propoxy]propoxy]methyl]benzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(4-methoxyphenyl)-phenyl-[3-[3-(4-phenylmethoxybutoxy)propoxy]propoxy]methyl]benzene?
The IUPAC name of 1-methoxy-4-[(4-methoxyphenyl)-phenyl-[3-[3-(4-phenylmethoxybutoxy)propoxy]propoxy]methyl]benzene (CID 175834590) is 1-methoxy-4-[(4-methoxyphenyl)-phenyl-[3-[3-(4-phenylmethoxybutoxy)propoxy]propoxy]methyl]benzene.
What is the SMILES notation for 1-methoxy-4-[(4-methoxyphenyl)-phenyl-[3-[3-(4-phenylmethoxybutoxy)propoxy]propoxy]methyl]benzene?
The canonical SMILES for 1-methoxy-4-[(4-methoxyphenyl)-phenyl-[3-[3-(4-phenylmethoxybutoxy)propoxy]propoxy]methyl]benzene is COc1ccc(C(OCCCOCCCOCCCCOCc2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-methoxy-4-[(4-methoxyphenyl)-phenyl-[3-[3-(4-phenylmethoxybutoxy)propoxy]propoxy]methyl]benzene?
The InChIKey is SGIPNMXEXOQOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H46O6/c1-39-36-21-17-34(18-22-36)38(33-15-7-4-8-16-33,35-19-23-37(40-2)24-20-35)44-30-12-29-42-28-11-27-41-25-9-10-26-43-31-32-13-5-3-6-14-32/h3-8,13-24H,9-12,25-31H2,1-2H3.
What are the key properties of 1-methoxy-4-[(4-methoxyphenyl)-phenyl-[3-[3-(4-phenylmethoxybutoxy)propoxy]propoxy]methyl]benzene?
1-methoxy-4-[(4-methoxyphenyl)-phenyl-[3-[3-(4-phenylmethoxybutoxy)propoxy]propoxy]methyl]benzene has a molecular weight of 598.78 g/mol, XLogP of 7.82, 21 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(4-methoxyphenyl)-phenyl-[3-[3-(4-phenylmethoxybutoxy)propoxy]propoxy]methyl]benzene is sourced from PubChem (CID 175834590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).