1-methoxy-4-[[(2R,3R,4R,5R)-4-[(4-methoxyphenyl)methoxy]-1,2,5,6-tetrakis(phenylmethoxy)hexan-3-yl]oxymethyl]benzene

C50H54O8 — CID 10985612

IUPAC1-methoxy-4-[[(2R,3R,4R,5R)-4-[(4-methoxyphenyl)methoxy]-1,2,5,6-tetrakis(phenylmethoxy)hexan-3-yl]oxymethyl]benzene
SMILESCOc1ccc(CO[C@@H]([C@H](OCc2ccc(OC)cc2)[C@@H](COCc2ccccc2)OCc2ccccc2)[C@@H](COCc2ccccc2)OCc2ccccc2)cc1
InChIInChI=1S/C50H54O8/c1-51-45-27-23-43(24-28-45)35-57-49(47(55-33-41-19-11-5-12-20-41)37-53-31-39-15-7-3-8-16-39)50(58-36-44-25-29-46(52-2)30-26-44)48(56-34-42-21-13-6-14-22-42)38-54-32-40-17-9-4-10-18-40/h3-30,47-50H,31-38H2,1-2H3/t47-,48-,49-,50-/m1/s1
InChIKeyKIHQYQWEIQPXMC-SGGCHTPCSA-N
MW782.97 g/mol
LogP9.78
Rot. Bonds25

About 1-methoxy-4-[[(2R,3R,4R,5R)-4-[(4-methoxyphenyl)methoxy]-1,2,5,6-tetrakis(phenylmethoxy)hexan-3-yl]oxymethyl]benzene

1-methoxy-4-[[(2R,3R,4R,5R)-4-[(4-methoxyphenyl)methoxy]-1,2,5,6-tetrakis(phenylmethoxy)hexan-3-yl]oxymethyl]benzene (PubChem CID 10985612) has the molecular formula C50H54O8 and a molecular weight of 782.97 g/mol. Its IUPAC name is 1-methoxy-4-[[(2R,3R,4R,5R)-4-[(4-methoxyphenyl)methoxy]-1,2,5,6-tetrakis(phenylmethoxy)hexan-3-yl]oxymethyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[[(2R,3R,4R,5R)-4-[(4-methoxyphenyl)methoxy]-1,2,5,6-tetrakis(phenylmethoxy)hexan-3-yl]oxymethyl]benzene
PubChem CID10985612
Molecular FormulaC50H54O8
Molecular Weight782.97 g/mol
Exact Mass782.38
IUPAC Name1-methoxy-4-[[(2R,3R,4R,5R)-4-[(4-methoxyphenyl)methoxy]-1,2,5,6-tetrakis(phenylmethoxy)hexan-3-yl]oxymethyl]benzene
SMILESCOc1ccc(CO[C@@H]([C@H](OCc2ccc(OC)cc2)[C@@H](COCc2ccccc2)OCc2ccccc2)[C@@H](COCc2ccccc2)OCc2ccccc2)cc1
InChIInChI=1S/C50H54O8/c1-51-45-27-23-43(24-28-45)35-57-49(47(55-33-41-19-11-5-12-20-41)37-53-31-39-15-7-3-8-16-39)50(58-36-44-25-29-46(52-2)30-26-44)48(56-34-42-21-13-6-14-22-42)38-54-32-40-17-9-4-10-18-40/h3-30,47-50H,31-38H2,1-2H3/t47-,48-,49-,50-/m1/s1
InChIKeyKIHQYQWEIQPXMC-SGGCHTPCSA-N
XLogP9.78
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds25
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.97
LogP ≤ 59.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-methoxy-4-[[(2R,3R,4R,5R)-4-[(4-methoxyphenyl)methoxy]-1,2,5,6-tetrakis(phenylmethoxy)hexan-3-yl]oxymethyl]benzene with MolForge

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Related Compounds

[(1S,2R,3R)-1-[(1S)-1,2-bis(phenylmethoxy)ethyl]-2,3,4-tris(phenylmethoxy)butoxy]methylbenzene
CID 99647470
1-methoxy-2-[(2R,3S)-3-[(4-methoxyphenyl)methoxy]-1,4-bis(phenylmethoxy)butan-2-yl]oxybenzene
CID 10506341
(2S,3S,4R)-3-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentane-1,2,4-triol
CID 10690012
(2R,3R,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexan-1-ol
CID 122226978
(2R,3S)-3-[(4-bromophenyl)methoxy]-4-[(4-methoxyphenyl)methoxy]butan-2-ol
CID 141348712
(2R)-2-[(1S)-2-[(4-methoxyphenyl)methoxy]-1-phenylmethoxyethyl]oxirane
CID 140633194
[(1R,2S)-2-phenylmethoxy-1-[(1S,2R)-1,2,3-tris(phenylmethoxy)propyl]but-3-enoxy]methylbenzene
CID 101489173
(2S,3R)-3-[(4-methoxyphenyl)methoxy]-4-phenylbutan-2-ol
CID 121462720
(3R)-3-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybutan-2-one
CID 11255470
2,3,4,5,6-pentakis(phenylmethoxy)hexanal
CID 14131714
(2R,3S,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexanal
CID 11814226
(2S,3R,4R,5S,6S,7S,8R,9S,10R,11R)-2,3,4,6,7,8,9,10,11,12-decakis(phenylmethoxy)dodecane-1,5-diol
CID 10653976

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[[(2R,3R,4R,5R)-4-[(4-methoxyphenyl)methoxy]-1,2,5,6-tetrakis(phenylmethoxy)hexan-3-yl]oxymethyl]benzene?
The IUPAC name of 1-methoxy-4-[[(2R,3R,4R,5R)-4-[(4-methoxyphenyl)methoxy]-1,2,5,6-tetrakis(phenylmethoxy)hexan-3-yl]oxymethyl]benzene (CID 10985612) is 1-methoxy-4-[[(2R,3R,4R,5R)-4-[(4-methoxyphenyl)methoxy]-1,2,5,6-tetrakis(phenylmethoxy)hexan-3-yl]oxymethyl]benzene.
What is the SMILES notation for 1-methoxy-4-[[(2R,3R,4R,5R)-4-[(4-methoxyphenyl)methoxy]-1,2,5,6-tetrakis(phenylmethoxy)hexan-3-yl]oxymethyl]benzene?
The canonical SMILES for 1-methoxy-4-[[(2R,3R,4R,5R)-4-[(4-methoxyphenyl)methoxy]-1,2,5,6-tetrakis(phenylmethoxy)hexan-3-yl]oxymethyl]benzene is COc1ccc(CO[C@@H]([C@H](OCc2ccc(OC)cc2)[C@@H](COCc2ccccc2)OCc2ccccc2)[C@@H](COCc2ccccc2)OCc2ccccc2)cc1.
What is the InChIKey of 1-methoxy-4-[[(2R,3R,4R,5R)-4-[(4-methoxyphenyl)methoxy]-1,2,5,6-tetrakis(phenylmethoxy)hexan-3-yl]oxymethyl]benzene?
The InChIKey is KIHQYQWEIQPXMC-SGGCHTPCSA-N. The full InChI is InChI=1S/C50H54O8/c1-51-45-27-23-43(24-28-45)35-57-49(47(55-33-41-19-11-5-12-20-41)37-53-31-39-15-7-3-8-16-39)50(58-36-44-25-29-46(52-2)30-26-44)48(56-34-42-21-13-6-14-22-42)38-54-32-40-17-9-4-10-18-40/h3-30,47-50H,31-38H2,1-2H3/t47-,48-,49-,50-/m1/s1.
What are the key properties of 1-methoxy-4-[[(2R,3R,4R,5R)-4-[(4-methoxyphenyl)methoxy]-1,2,5,6-tetrakis(phenylmethoxy)hexan-3-yl]oxymethyl]benzene?
1-methoxy-4-[[(2R,3R,4R,5R)-4-[(4-methoxyphenyl)methoxy]-1,2,5,6-tetrakis(phenylmethoxy)hexan-3-yl]oxymethyl]benzene has a molecular weight of 782.97 g/mol, XLogP of 9.78, 25 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[[(2R,3R,4R,5R)-4-[(4-methoxyphenyl)methoxy]-1,2,5,6-tetrakis(phenylmethoxy)hexan-3-yl]oxymethyl]benzene is sourced from PubChem (CID 10985612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).