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'}

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Related Compounds

1-methoxy-4-(10-trityloxydecoxymethyl)benzene
CID 11284058
1-methoxy-4-(7-phenylmethoxyheptoxymethyl)benzene
CID 101026265
1-[dodecoxy-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene
CID 101094688
[diphenyl(2-phenylmethoxyethoxy)methyl]benzene
CID 99938038
2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 54065876
2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethanol
CID 57357526
12-[bis(4-methoxyphenyl)-phenylmethoxy]dodecanamide
CID 141366713
2-[4-[3-[bis(4-methoxyphenyl)-phenylmethoxy]propoxymethyl]-2-pyridinyl]-4-methylsulfonyl-6-pyridin-2-ylpyridine
CID 102073215
1-[3-cyclopenta-1,3-dien-1-ylpropoxy-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene
CID 12067687
3-[[3-(dimethylamino)phenyl]-(4-methoxyphenyl)-(3-phenylpropoxy)methyl]-N,N-dimethylaniline
CID 53469286
2-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl]isoindole-1,3-dione;ethane
CID 144822259
[2-[2-methyl-4-(2-methyl-4-phenylmethoxybutan-2-yl)oxybutan-2-yl]oxyethoxy-diphenylmethyl]benzene
CID 143148556

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).