1-methoxy-4-[(1S,2S)-2-[2-[(1S,2S)-2-[2-[(1S,2S)-2-(4-methoxyphenyl)-1,2-diphenylethoxy]ethoxy]-1,2-diphenylethoxy]ethoxy]-1,2-diphenylethyl]benzene

C60H58O6 — CID 101271686

IUPAC1-methoxy-4-[(1S,2S)-2-[2-[(1S,2S)-2-[2-[(1S,2S)-2-(4-methoxyphenyl)-1,2-diphenylethoxy]ethoxy]-1,2-diphenylethoxy]ethoxy]-1,2-diphenylethyl]benzene
SMILESCOc1ccc(C(c2ccccc2)[C@H](OCCO[C@@H](c2ccccc2)[C@@H](OCCO[C@H](c2ccccc2)[C@@H](c2ccccc2)c2ccc(OC)cc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C60H58O6/c1-61-53-37-33-47(34-38-53)55(45-21-9-3-10-22-45)57(49-25-13-5-14-26-49)63-41-43-65-59(51-29-17-7-18-30-51)60(52-31-19-8-20-32-52)66-44-42-64-58(50-27-15-6-16-28-50)56(46-23-11-4-12-24-46)48-35-39-54(62-2)40-36-48/h3-40,55-60H,41-44H2,1-2H3/t55-,56?,57+,58+,59-,60-/m0/s1
InChIKeyVNPUTLJVOSGYHW-ZSQVUMDKSA-N
MW875.12 g/mol
LogP13.70
Rot. Bonds23

About 1-methoxy-4-[(1S,2S)-2-[2-[(1S,2S)-2-[2-[(1S,2S)-2-(4-methoxyphenyl)-1,2-diphenylethoxy]ethoxy]-1,2-diphenylethoxy]ethoxy]-1,2-diphenylethyl]benzene

1-methoxy-4-[(1S,2S)-2-[2-[(1S,2S)-2-[2-[(1S,2S)-2-(4-methoxyphenyl)-1,2-diphenylethoxy]ethoxy]-1,2-diphenylethoxy]ethoxy]-1,2-diphenylethyl]benzene (PubChem CID 101271686) has the molecular formula C60H58O6 and a molecular weight of 875.12 g/mol. Its IUPAC name is 1-methoxy-4-[(1S,2S)-2-[2-[(1S,2S)-2-[2-[(1S,2S)-2-(4-methoxyphenyl)-1,2-diphenylethoxy]ethoxy]-1,2-diphenylethoxy]ethoxy]-1,2-diphenylethyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[(1S,2S)-2-[2-[(1S,2S)-2-[2-[(1S,2S)-2-(4-methoxyphenyl)-1,2-diphenylethoxy]ethoxy]-1,2-diphenylethoxy]ethoxy]-1,2-diphenylethyl]benzene
PubChem CID101271686
Molecular FormulaC60H58O6
Molecular Weight875.12 g/mol
Exact Mass874.42
IUPAC Name1-methoxy-4-[(1S,2S)-2-[2-[(1S,2S)-2-[2-[(1S,2S)-2-(4-methoxyphenyl)-1,2-diphenylethoxy]ethoxy]-1,2-diphenylethoxy]ethoxy]-1,2-diphenylethyl]benzene
SMILESCOc1ccc(C(c2ccccc2)[C@H](OCCO[C@@H](c2ccccc2)[C@@H](OCCO[C@H](c2ccccc2)[C@@H](c2ccccc2)c2ccc(OC)cc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C60H58O6/c1-61-53-37-33-47(34-38-53)55(45-21-9-3-10-22-45)57(49-25-13-5-14-26-49)63-41-43-65-59(51-29-17-7-18-30-51)60(52-31-19-8-20-32-52)66-44-42-64-58(50-27-15-6-16-28-50)56(46-23-11-4-12-24-46)48-35-39-54(62-2)40-36-48/h3-40,55-60H,41-44H2,1-2H3/t55-,56?,57+,58+,59-,60-/m0/s1
InChIKeyVNPUTLJVOSGYHW-ZSQVUMDKSA-N
XLogP13.70
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500875.12
LogP ≤ 513.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-methoxy-4-[(1S,2S)-2-[2-[(1S,2S)-2-[2-[(1S,2S)-2-(4-methoxyphenyl)-1,2-diphenylethoxy]ethoxy]-1,2-diphenylethoxy]ethoxy]-1,2-diphenylethyl]benzene with MolForge

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Related Compounds

1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905
2-ethoxy-1-(4-methoxyphenyl)-2-phenylethanol
CID 116757104
[(1R,2R)-2-phenyl-1,2-dipropoxyethyl]benzene
CID 10983775
2-[(4-methoxyphenyl)-phenylmethoxy]ethanol
CID 54566814
1-(4-methoxyphenyl)-1-propoxybutan-2-amine
CID 55016107
(1,2-dihexoxy-2-phenylethyl)benzene
CID 14092843
(1-methoxy-2-phenyl-2-propoxyethyl)benzene
CID 175600461
[2-ethoxy-1-(4-methoxyphenyl)-2-phenylethyl]hydrazine
CID 105279293
2-[(4-methoxyphenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 10669
3-(dimethylamino)-1-(4-methoxyphenyl)-1-phenylpropan-2-ol;hydrochloride
CID 12549092
[1-butoxy-2-(3-methylbutoxy)-2-phenylethyl]benzene
CID 139393088
1-[(4-methoxyphenyl)-phenylmethyl]naphthalene
CID 19697043

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(1S,2S)-2-[2-[(1S,2S)-2-[2-[(1S,2S)-2-(4-methoxyphenyl)-1,2-diphenylethoxy]ethoxy]-1,2-diphenylethoxy]ethoxy]-1,2-diphenylethyl]benzene?
The IUPAC name of 1-methoxy-4-[(1S,2S)-2-[2-[(1S,2S)-2-[2-[(1S,2S)-2-(4-methoxyphenyl)-1,2-diphenylethoxy]ethoxy]-1,2-diphenylethoxy]ethoxy]-1,2-diphenylethyl]benzene (CID 101271686) is 1-methoxy-4-[(1S,2S)-2-[2-[(1S,2S)-2-[2-[(1S,2S)-2-(4-methoxyphenyl)-1,2-diphenylethoxy]ethoxy]-1,2-diphenylethoxy]ethoxy]-1,2-diphenylethyl]benzene.
What is the SMILES notation for 1-methoxy-4-[(1S,2S)-2-[2-[(1S,2S)-2-[2-[(1S,2S)-2-(4-methoxyphenyl)-1,2-diphenylethoxy]ethoxy]-1,2-diphenylethoxy]ethoxy]-1,2-diphenylethyl]benzene?
The canonical SMILES for 1-methoxy-4-[(1S,2S)-2-[2-[(1S,2S)-2-[2-[(1S,2S)-2-(4-methoxyphenyl)-1,2-diphenylethoxy]ethoxy]-1,2-diphenylethoxy]ethoxy]-1,2-diphenylethyl]benzene is COc1ccc(C(c2ccccc2)[C@H](OCCO[C@@H](c2ccccc2)[C@@H](OCCO[C@H](c2ccccc2)[C@@H](c2ccccc2)c2ccc(OC)cc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-methoxy-4-[(1S,2S)-2-[2-[(1S,2S)-2-[2-[(1S,2S)-2-(4-methoxyphenyl)-1,2-diphenylethoxy]ethoxy]-1,2-diphenylethoxy]ethoxy]-1,2-diphenylethyl]benzene?
The InChIKey is VNPUTLJVOSGYHW-ZSQVUMDKSA-N. The full InChI is InChI=1S/C60H58O6/c1-61-53-37-33-47(34-38-53)55(45-21-9-3-10-22-45)57(49-25-13-5-14-26-49)63-41-43-65-59(51-29-17-7-18-30-51)60(52-31-19-8-20-32-52)66-44-42-64-58(50-27-15-6-16-28-50)56(46-23-11-4-12-24-46)48-35-39-54(62-2)40-36-48/h3-40,55-60H,41-44H2,1-2H3/t55-,56?,57+,58+,59-,60-/m0/s1.
What are the key properties of 1-methoxy-4-[(1S,2S)-2-[2-[(1S,2S)-2-[2-[(1S,2S)-2-(4-methoxyphenyl)-1,2-diphenylethoxy]ethoxy]-1,2-diphenylethoxy]ethoxy]-1,2-diphenylethyl]benzene?
1-methoxy-4-[(1S,2S)-2-[2-[(1S,2S)-2-[2-[(1S,2S)-2-(4-methoxyphenyl)-1,2-diphenylethoxy]ethoxy]-1,2-diphenylethoxy]ethoxy]-1,2-diphenylethyl]benzene has a molecular weight of 875.12 g/mol, XLogP of 13.70, 23 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(1S,2S)-2-[2-[(1S,2S)-2-[2-[(1S,2S)-2-(4-methoxyphenyl)-1,2-diphenylethoxy]ethoxy]-1,2-diphenylethoxy]ethoxy]-1,2-diphenylethyl]benzene is sourced from PubChem (CID 101271686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).