5-[2-[3-[[3-[[3-[[3-[[3-[[3,5-bis[(3,5-dihydroxyphenyl)methoxy]phenyl]methoxy]-5-hydroxyphenyl]methoxy]-5-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-hydroxyphenyl]methoxy]phenyl]methoxy]-5-(methoxymethyl)phenoxy]methyl]-5-hydroxyphenoxy]methyl]-5-hydroxyphenoxy]ethyl]benzene-1,3-diol

C79H72O23 — CID 59939789

IUPAC5-[2-[3-[[3-[[3-[[3-[[3-[[3,5-bis[(3,5-dihydroxyphenyl)methoxy]phenyl]methoxy]-5-hydroxyphenyl]methoxy]-5-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-hydroxyphenyl]methoxy]phenyl]methoxy]-5-(methoxymethyl)phenoxy]methyl]-5-hydroxyphenoxy]methyl]-5-hydroxyphenoxy]ethyl]benzene-1,3-diol
SMILESCOCc1cc(OCc2cc(O)cc(OCc3cc(O)cc(OCCc4cc(O)cc(O)c4)c3)c2)cc(OCc2cc(OCc3cc(O)cc(OCc4cc(O)cc(O)c4)c3)cc(OCc3cc(O)cc(OCc4cc(OCc5cc(O)cc(O)c5)cc(OCc5cc(O)cc(O)c5)c4)c3)c2)c1
InChIInChI=1S/C79H72O23/c1-92-37-55-20-74(99-42-53-14-68(90)32-72(18-53)95-41-51-12-66(88)30-70(16-51)93-3-2-47-4-58(80)26-59(81)5-47)34-75(21-55)102-46-57-24-78(100-43-52-13-67(89)31-71(17-52)94-38-48-6-60(82)27-61(83)7-48)36-79(25-57)101-44-54-15-69(91)33-73(19-54)96-45-56-22-76(97-39-49-8-62(84)28-63(85)9-49)35-77(23-56)98-40-50-10-64(86)29-65(87)11-50/h4-36,80-91H,2-3,37-46H2,1H3
InChIKeyOINYNQURNCCYPA-UHFFFAOYSA-N
MW1389.42 g/mol
LogP14.13
Rot. Bonds33

About 5-[2-[3-[[3-[[3-[[3-[[3-[[3,5-bis[(3,5-dihydroxyphenyl)methoxy]phenyl]methoxy]-5-hydroxyphenyl]methoxy]-5-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-hydroxyphenyl]methoxy]phenyl]methoxy]-5-(methoxymethyl)phenoxy]methyl]-5-hydroxyphenoxy]methyl]-5-hydroxyphenoxy]ethyl]benzene-1,3-diol

5-[2-[3-[[3-[[3-[[3-[[3-[[3,5-bis[(3,5-dihydroxyphenyl)methoxy]phenyl]methoxy]-5-hydroxyphenyl]methoxy]-5-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-hydroxyphenyl]methoxy]phenyl]methoxy]-5-(methoxymethyl)phenoxy]methyl]-5-hydroxyphenoxy]methyl]-5-hydroxyphenoxy]ethyl]benzene-1,3-diol (PubChem CID 59939789) has the molecular formula C79H72O23 and a molecular weight of 1389.42 g/mol. Its IUPAC name is 5-[2-[3-[[3-[[3-[[3-[[3-[[3,5-bis[(3,5-dihydroxyphenyl)methoxy]phenyl]methoxy]-5-hydroxyphenyl]methoxy]-5-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-hydroxyphenyl]methoxy]phenyl]methoxy]-5-(methoxymethyl)phenoxy]methyl]-5-hydroxyphenoxy]methyl]-5-hydroxyphenoxy]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[2-[3-[[3-[[3-[[3-[[3-[[3,5-bis[(3,5-dihydroxyphenyl)methoxy]phenyl]methoxy]-5-hydroxyphenyl]methoxy]-5-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-hydroxyphenyl]methoxy]phenyl]methoxy]-5-(methoxymethyl)phenoxy]methyl]-5-hydroxyphenoxy]methyl]-5-hydroxyphenoxy]ethyl]benzene-1,3-diol
PubChem CID59939789
Molecular FormulaC79H72O23
Molecular Weight1389.42 g/mol
Exact Mass1388.45
IUPAC Name5-[2-[3-[[3-[[3-[[3-[[3-[[3,5-bis[(3,5-dihydroxyphenyl)methoxy]phenyl]methoxy]-5-hydroxyphenyl]methoxy]-5-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-hydroxyphenyl]methoxy]phenyl]methoxy]-5-(methoxymethyl)phenoxy]methyl]-5-hydroxyphenoxy]methyl]-5-hydroxyphenoxy]ethyl]benzene-1,3-diol
SMILESCOCc1cc(OCc2cc(O)cc(OCc3cc(O)cc(OCCc4cc(O)cc(O)c4)c3)c2)cc(OCc2cc(OCc3cc(O)cc(OCc4cc(O)cc(O)c4)c3)cc(OCc3cc(O)cc(OCc4cc(OCc5cc(O)cc(O)c5)cc(OCc5cc(O)cc(O)c5)c4)c3)c2)c1
InChIInChI=1S/C79H72O23/c1-92-37-55-20-74(99-42-53-14-68(90)32-72(18-53)95-41-51-12-66(88)30-70(16-51)93-3-2-47-4-58(80)26-59(81)5-47)34-75(21-55)102-46-57-24-78(100-43-52-13-67(89)31-71(17-52)94-38-48-6-60(82)27-61(83)7-48)36-79(25-57)101-44-54-15-69(91)33-73(19-54)96-45-56-22-76(97-39-49-8-62(84)28-63(85)9-49)35-77(23-56)98-40-50-10-64(86)29-65(87)11-50/h4-36,80-91H,2-3,37-46H2,1H3
InChIKeyOINYNQURNCCYPA-UHFFFAOYSA-N
XLogP14.13
TPSA344.29 Ų
H-Bond Donors12
H-Bond Acceptors23
Rotatable Bonds33
Heavy Atoms102
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001389.42
LogP ≤ 514.13
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1023

Analyze 5-[2-[3-[[3-[[3-[[3-[[3-[[3,5-bis[(3,5-dihydroxyphenyl)methoxy]phenyl]methoxy]-5-hydroxyphenyl]methoxy]-5-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-hydroxyphenyl]methoxy]phenyl]methoxy]-5-(methoxymethyl)phenoxy]methyl]-5-hydroxyphenoxy]methyl]-5-hydroxyphenoxy]ethyl]benzene-1,3-diol with MolForge

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Launch Full Analysis

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
3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenol
CID 54586280
3-(2-aminoethyl)-5-(3-methoxypropoxy)phenol
CID 174673991
5-[4-[3,5-bis[4-(3,5-dihydroxyphenoxy)butoxy]phenoxy]butoxy]benzene-1,3-diol
CID 53305209
3-[(3,5-dimethylphenoxy)methyl]-5-methoxyphenol
CID 70951574
3-(methoxymethyl)-5-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]phenol
CID 86038591
3-(2-hydroxyethyl)-5-[(4-methoxyphenyl)methoxy]phenol
CID 143727870
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
3-(hydroxymethyl)-5-propoxyphenol
CID 15514176
3-[[3-[[3-[[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenol
CID 101175071
[3,5-bis[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methanol
CID 101100720
4-[2-[4-[2-(3,5-dihydroxyphenoxy)ethyl]phenoxy]ethyl]benzene-1,2-diol
CID 132555235

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-[[3-[[3-[[3-[[3-[[3,5-bis[(3,5-dihydroxyphenyl)methoxy]phenyl]methoxy]-5-hydroxyphenyl]methoxy]-5-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-hydroxyphenyl]methoxy]phenyl]methoxy]-5-(methoxymethyl)phenoxy]methyl]-5-hydroxyphenoxy]methyl]-5-hydroxyphenoxy]ethyl]benzene-1,3-diol?
The IUPAC name of 5-[2-[3-[[3-[[3-[[3-[[3-[[3,5-bis[(3,5-dihydroxyphenyl)methoxy]phenyl]methoxy]-5-hydroxyphenyl]methoxy]-5-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-hydroxyphenyl]methoxy]phenyl]methoxy]-5-(methoxymethyl)phenoxy]methyl]-5-hydroxyphenoxy]methyl]-5-hydroxyphenoxy]ethyl]benzene-1,3-diol (CID 59939789) is 5-[2-[3-[[3-[[3-[[3-[[3-[[3,5-bis[(3,5-dihydroxyphenyl)methoxy]phenyl]methoxy]-5-hydroxyphenyl]methoxy]-5-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-hydroxyphenyl]methoxy]phenyl]methoxy]-5-(methoxymethyl)phenoxy]methyl]-5-hydroxyphenoxy]methyl]-5-hydroxyphenoxy]ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[2-[3-[[3-[[3-[[3-[[3-[[3,5-bis[(3,5-dihydroxyphenyl)methoxy]phenyl]methoxy]-5-hydroxyphenyl]methoxy]-5-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-hydroxyphenyl]methoxy]phenyl]methoxy]-5-(methoxymethyl)phenoxy]methyl]-5-hydroxyphenoxy]methyl]-5-hydroxyphenoxy]ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[2-[3-[[3-[[3-[[3-[[3-[[3,5-bis[(3,5-dihydroxyphenyl)methoxy]phenyl]methoxy]-5-hydroxyphenyl]methoxy]-5-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-hydroxyphenyl]methoxy]phenyl]methoxy]-5-(methoxymethyl)phenoxy]methyl]-5-hydroxyphenoxy]methyl]-5-hydroxyphenoxy]ethyl]benzene-1,3-diol is COCc1cc(OCc2cc(O)cc(OCc3cc(O)cc(OCCc4cc(O)cc(O)c4)c3)c2)cc(OCc2cc(OCc3cc(O)cc(OCc4cc(O)cc(O)c4)c3)cc(OCc3cc(O)cc(OCc4cc(OCc5cc(O)cc(O)c5)cc(OCc5cc(O)cc(O)c5)c4)c3)c2)c1.
What is the InChIKey of 5-[2-[3-[[3-[[3-[[3-[[3-[[3,5-bis[(3,5-dihydroxyphenyl)methoxy]phenyl]methoxy]-5-hydroxyphenyl]methoxy]-5-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-hydroxyphenyl]methoxy]phenyl]methoxy]-5-(methoxymethyl)phenoxy]methyl]-5-hydroxyphenoxy]methyl]-5-hydroxyphenoxy]ethyl]benzene-1,3-diol?
The InChIKey is OINYNQURNCCYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H72O23/c1-92-37-55-20-74(99-42-53-14-68(90)32-72(18-53)95-41-51-12-66(88)30-70(16-51)93-3-2-47-4-58(80)26-59(81)5-47)34-75(21-55)102-46-57-24-78(100-43-52-13-67(89)31-71(17-52)94-38-48-6-60(82)27-61(83)7-48)36-79(25-57)101-44-54-15-69(91)33-73(19-54)96-45-56-22-76(97-39-49-8-62(84)28-63(85)9-49)35-77(23-56)98-40-50-10-64(86)29-65(87)11-50/h4-36,80-91H,2-3,37-46H2,1H3.
What are the key properties of 5-[2-[3-[[3-[[3-[[3-[[3-[[3,5-bis[(3,5-dihydroxyphenyl)methoxy]phenyl]methoxy]-5-hydroxyphenyl]methoxy]-5-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-hydroxyphenyl]methoxy]phenyl]methoxy]-5-(methoxymethyl)phenoxy]methyl]-5-hydroxyphenoxy]methyl]-5-hydroxyphenoxy]ethyl]benzene-1,3-diol?
5-[2-[3-[[3-[[3-[[3-[[3-[[3,5-bis[(3,5-dihydroxyphenyl)methoxy]phenyl]methoxy]-5-hydroxyphenyl]methoxy]-5-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-hydroxyphenyl]methoxy]phenyl]methoxy]-5-(methoxymethyl)phenoxy]methyl]-5-hydroxyphenoxy]methyl]-5-hydroxyphenoxy]ethyl]benzene-1,3-diol has a molecular weight of 1389.42 g/mol, XLogP of 14.13, 33 rotatable bonds, 12 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-[[3-[[3-[[3-[[3-[[3,5-bis[(3,5-dihydroxyphenyl)methoxy]phenyl]methoxy]-5-hydroxyphenyl]methoxy]-5-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-hydroxyphenyl]methoxy]phenyl]methoxy]-5-(methoxymethyl)phenoxy]methyl]-5-hydroxyphenoxy]methyl]-5-hydroxyphenoxy]ethyl]benzene-1,3-diol is sourced from PubChem (CID 59939789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).