[3,5-bis[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methanol

C57H60O15 — CID 101100720

IUPAC[3,5-bis[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methanol
SMILESCOc1cc(COc2cc(COc3cc(CO)cc(OCc4cc(OCc5cc(OC)cc(OC)c5)cc(OCc5cc(OC)cc(OC)c5)c4)c3)cc(OCc3cc(OC)cc(OC)c3)c2)cc(OC)c1
InChIInChI=1S/C57H60O15/c1-59-44-11-38(12-45(23-44)60-2)31-69-54-19-42(20-55(28-54)70-32-39-13-46(61-3)24-47(14-39)62-4)35-67-52-9-37(30-58)10-53(27-52)68-36-43-21-56(71-33-40-15-48(63-5)25-49(16-40)64-6)29-57(22-43)72-34-41-17-50(65-7)26-51(18-41)66-8/h9-29,58H,30-36H2,1-8H3
InChIKeyHSCYCAHCUAZNMR-UHFFFAOYSA-N
MW985.09 g/mol
LogP10.72
Rot. Bonds27

About [3,5-bis[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methanol

[3,5-bis[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methanol (PubChem CID 101100720) has the molecular formula C57H60O15 and a molecular weight of 985.09 g/mol. Its IUPAC name is [3,5-bis[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3,5-bis[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methanol
PubChem CID101100720
Molecular FormulaC57H60O15
Molecular Weight985.09 g/mol
Exact Mass984.39
IUPAC Name[3,5-bis[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methanol
SMILESCOc1cc(COc2cc(COc3cc(CO)cc(OCc4cc(OCc5cc(OC)cc(OC)c5)cc(OCc5cc(OC)cc(OC)c5)c4)c3)cc(OCc3cc(OC)cc(OC)c3)c2)cc(OC)c1
InChIInChI=1S/C57H60O15/c1-59-44-11-38(12-45(23-44)60-2)31-69-54-19-42(20-55(28-54)70-32-39-13-46(61-3)24-47(14-39)62-4)35-67-52-9-37(30-58)10-53(27-52)68-36-43-21-56(71-33-40-15-48(63-5)25-49(16-40)64-6)29-57(22-43)72-34-41-17-50(65-7)26-51(18-41)66-8/h9-29,58H,30-36H2,1-8H3
InChIKeyHSCYCAHCUAZNMR-UHFFFAOYSA-N
XLogP10.72
TPSA149.45 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds27
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500985.09
LogP ≤ 510.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

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Related Compounds

3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenol
CID 54586280
[3-[[3,5-bis[[3,5-bis(hydroxymethyl)phenyl]methoxy]phenoxy]methyl]-5-(hydroxymethyl)phenyl]methanol
CID 101251807
ethene;[3-(hydroxymethyl)-5-methoxyphenyl]methanol
CID 144848774
[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol
CID 15385707
[3,5-bis[[3,5-bis[[3,5-bis(2-methoxyethoxymethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanol
CID 10796614
(3-docosoxy-5-methoxyphenyl)methanol
CID 155440608
[3-[[3-(hydroxymethyl)-5-methoxyphenyl]methoxy]phenyl]boronic acid
CID 123997809
1,4,7-tris[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methyl]-1,4,7-triazonane
CID 100958899
3-[(3,5-dimethylphenoxy)methyl]-5-methoxyphenol
CID 70951574
1-(hydroperoxymethyl)-3,5-dimethoxybenzene
CID 89188233
(3-fluoro-5-methoxyphenyl)methanol
CID 26985456
3-[[3-[[3-[[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenol
CID 101175071

Frequently Asked Questions

What is the IUPAC name of [3,5-bis[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methanol?
The IUPAC name of [3,5-bis[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methanol (CID 101100720) is [3,5-bis[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methanol.
What is the SMILES notation for [3,5-bis[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methanol?
The canonical SMILES for [3,5-bis[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methanol is COc1cc(COc2cc(COc3cc(CO)cc(OCc4cc(OCc5cc(OC)cc(OC)c5)cc(OCc5cc(OC)cc(OC)c5)c4)c3)cc(OCc3cc(OC)cc(OC)c3)c2)cc(OC)c1.
What is the InChIKey of [3,5-bis[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methanol?
The InChIKey is HSCYCAHCUAZNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H60O15/c1-59-44-11-38(12-45(23-44)60-2)31-69-54-19-42(20-55(28-54)70-32-39-13-46(61-3)24-47(14-39)62-4)35-67-52-9-37(30-58)10-53(27-52)68-36-43-21-56(71-33-40-15-48(63-5)25-49(16-40)64-6)29-57(22-43)72-34-41-17-50(65-7)26-51(18-41)66-8/h9-29,58H,30-36H2,1-8H3.
What are the key properties of [3,5-bis[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methanol?
[3,5-bis[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methanol has a molecular weight of 985.09 g/mol, XLogP of 10.72, 27 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methanol is sourced from PubChem (CID 101100720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).