5-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-[[3-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-[(3-hydroxy-5-methylphenyl)methoxy]phenyl]methoxy]-5-[(4-methylphenoxy)methyl]phenoxy]methyl]phenoxy]methyl]benzene-1,3-diol

C57H52O14 — CID 58912218

IUPAC5-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-[[3-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-[(3-hydroxy-5-methylphenyl)methoxy]phenyl]methoxy]-5-[(4-methylphenoxy)methyl]phenoxy]methyl]phenoxy]methyl]benzene-1,3-diol
SMILESCc1ccc(OCc2cc(OCc3cc(OCc4cc(C)cc(O)c4)cc(OCc4cc(O)cc(O)c4)c3)cc(OCc3cc(OCc4cc(O)cc(O)c4)cc(OCc4cc(O)cc(O)c4)c3)c2)cc1
InChIInChI=1S/C57H52O14/c1-35-3-5-51(6-4-35)65-32-41-16-56(70-33-42-18-52(66-28-37-7-36(2)8-44(58)9-37)25-53(19-42)67-29-38-10-45(59)22-46(60)11-38)27-57(17-41)71-34-43-20-54(68-30-39-12-47(61)23-48(62)13-39)26-55(21-43)69-31-40-14-49(63)24-50(64)15-40/h3-27,58-64H,28-34H2,1-2H3
InChIKeyIGHLWXBRQIVWES-UHFFFAOYSA-N
MW961.03 g/mol
LogP11.30
Rot. Bonds21

About 5-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-[[3-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-[(3-hydroxy-5-methylphenyl)methoxy]phenyl]methoxy]-5-[(4-methylphenoxy)methyl]phenoxy]methyl]phenoxy]methyl]benzene-1,3-diol

5-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-[[3-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-[(3-hydroxy-5-methylphenyl)methoxy]phenyl]methoxy]-5-[(4-methylphenoxy)methyl]phenoxy]methyl]phenoxy]methyl]benzene-1,3-diol (PubChem CID 58912218) has the molecular formula C57H52O14 and a molecular weight of 961.03 g/mol. Its IUPAC name is 5-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-[[3-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-[(3-hydroxy-5-methylphenyl)methoxy]phenyl]methoxy]-5-[(4-methylphenoxy)methyl]phenoxy]methyl]phenoxy]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-[[3-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-[(3-hydroxy-5-methylphenyl)methoxy]phenyl]methoxy]-5-[(4-methylphenoxy)methyl]phenoxy]methyl]phenoxy]methyl]benzene-1,3-diol
PubChem CID58912218
Molecular FormulaC57H52O14
Molecular Weight961.03 g/mol
Exact Mass960.34
IUPAC Name5-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-[[3-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-[(3-hydroxy-5-methylphenyl)methoxy]phenyl]methoxy]-5-[(4-methylphenoxy)methyl]phenoxy]methyl]phenoxy]methyl]benzene-1,3-diol
SMILESCc1ccc(OCc2cc(OCc3cc(OCc4cc(C)cc(O)c4)cc(OCc4cc(O)cc(O)c4)c3)cc(OCc3cc(OCc4cc(O)cc(O)c4)cc(OCc4cc(O)cc(O)c4)c3)c2)cc1
InChIInChI=1S/C57H52O14/c1-35-3-5-51(6-4-35)65-32-41-16-56(70-33-42-18-52(66-28-37-7-36(2)8-44(58)9-37)25-53(19-42)67-29-38-10-45(59)22-46(60)11-38)27-57(17-41)71-34-43-20-54(68-30-39-12-47(61)23-48(62)13-39)26-55(21-43)69-31-40-14-49(63)24-50(64)15-40/h3-27,58-64H,28-34H2,1-2H3
InChIKeyIGHLWXBRQIVWES-UHFFFAOYSA-N
XLogP11.30
TPSA206.22 Ų
H-Bond Donors7
H-Bond Acceptors14
Rotatable Bonds21
Heavy Atoms71
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500961.03
LogP ≤ 511.30
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1014

Analyze 5-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-[[3-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-[(3-hydroxy-5-methylphenyl)methoxy]phenyl]methoxy]-5-[(4-methylphenoxy)methyl]phenoxy]methyl]phenoxy]methyl]benzene-1,3-diol with MolForge

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Related Compounds

5-[[3-[[3-[[3,5-bis[[3,5-bis[[3,5-bis[(3,5-dihydroxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenoxy]methyl]-5-[[3,5-bis[(3,5-dihydroxyphenyl)methoxy]phenyl]methoxy]phenoxy]methyl]-5-[(3,5-dihydroxyphenyl)methoxy]phenoxy]methyl]benzene-1,3-diol
CID 58912216
3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-[[3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methoxy]phenol
CID 130411171
3-[(3,5-dimethylphenoxy)methyl]-5-methoxyphenol
CID 70951574
1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
1-[[3-[[3,5-bis[(3,5-dimethylphenyl)methoxy]phenyl]methoxy]-5-ethylphenoxy]methyl]-3,5-bis[(3,5-dimethylphenyl)methoxy]benzene
CID 59710807
1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene
CID 102395902
1-[(4-iodophenoxy)methyl]-3,5-dimethylbenzene
CID 60644543
3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenol
CID 54586280
1,3-dimethyl-5-(phenoxymethyl)benzene
CID 20649368
3-[(4-tert-butylphenyl)methoxy]-5-methylphenol
CID 107679876
7-[(3,5-dimethylphenyl)methoxy]naphthalen-2-ol
CID 63549894
(1S)-1-[4-[(3,5-dimethylphenyl)methoxy]phenyl]ethanol
CID 78930281

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-[[3-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-[(3-hydroxy-5-methylphenyl)methoxy]phenyl]methoxy]-5-[(4-methylphenoxy)methyl]phenoxy]methyl]phenoxy]methyl]benzene-1,3-diol?
The IUPAC name of 5-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-[[3-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-[(3-hydroxy-5-methylphenyl)methoxy]phenyl]methoxy]-5-[(4-methylphenoxy)methyl]phenoxy]methyl]phenoxy]methyl]benzene-1,3-diol (CID 58912218) is 5-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-[[3-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-[(3-hydroxy-5-methylphenyl)methoxy]phenyl]methoxy]-5-[(4-methylphenoxy)methyl]phenoxy]methyl]phenoxy]methyl]benzene-1,3-diol.
What is the SMILES notation for 5-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-[[3-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-[(3-hydroxy-5-methylphenyl)methoxy]phenyl]methoxy]-5-[(4-methylphenoxy)methyl]phenoxy]methyl]phenoxy]methyl]benzene-1,3-diol?
The canonical SMILES for 5-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-[[3-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-[(3-hydroxy-5-methylphenyl)methoxy]phenyl]methoxy]-5-[(4-methylphenoxy)methyl]phenoxy]methyl]phenoxy]methyl]benzene-1,3-diol is Cc1ccc(OCc2cc(OCc3cc(OCc4cc(C)cc(O)c4)cc(OCc4cc(O)cc(O)c4)c3)cc(OCc3cc(OCc4cc(O)cc(O)c4)cc(OCc4cc(O)cc(O)c4)c3)c2)cc1.
What is the InChIKey of 5-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-[[3-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-[(3-hydroxy-5-methylphenyl)methoxy]phenyl]methoxy]-5-[(4-methylphenoxy)methyl]phenoxy]methyl]phenoxy]methyl]benzene-1,3-diol?
The InChIKey is IGHLWXBRQIVWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H52O14/c1-35-3-5-51(6-4-35)65-32-41-16-56(70-33-42-18-52(66-28-37-7-36(2)8-44(58)9-37)25-53(19-42)67-29-38-10-45(59)22-46(60)11-38)27-57(17-41)71-34-43-20-54(68-30-39-12-47(61)23-48(62)13-39)26-55(21-43)69-31-40-14-49(63)24-50(64)15-40/h3-27,58-64H,28-34H2,1-2H3.
What are the key properties of 5-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-[[3-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-[(3-hydroxy-5-methylphenyl)methoxy]phenyl]methoxy]-5-[(4-methylphenoxy)methyl]phenoxy]methyl]phenoxy]methyl]benzene-1,3-diol?
5-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-[[3-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-[(3-hydroxy-5-methylphenyl)methoxy]phenyl]methoxy]-5-[(4-methylphenoxy)methyl]phenoxy]methyl]phenoxy]methyl]benzene-1,3-diol has a molecular weight of 961.03 g/mol, XLogP of 11.30, 21 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-[[3-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-[(3-hydroxy-5-methylphenyl)methoxy]phenyl]methoxy]-5-[(4-methylphenoxy)methyl]phenoxy]methyl]phenoxy]methyl]benzene-1,3-diol is sourced from PubChem (CID 58912218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).