2-[3-[2-(4-chloro-3,5-dihydroxyphenoxy)-3-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)-3-(2,4,6-trihydroxyphenyl)phenoxy]-5-hydroxyphenoxy]-2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenyl]benzene-1,3,5-triol

C48H33ClO24 — CID 163001717

About 2-[3-[2-(4-chloro-3,5-dihydroxyphenoxy)-3-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)-3-(2,4,6-trihydroxyphenyl)phenoxy]-5-hydroxyphenoxy]-2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenyl]benzene-1,3,5-triol

2-[3-[2-(4-chloro-3,5-dihydroxyphenoxy)-3-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)-3-(2,4,6-trihydroxyphenyl)phenoxy]-5-hydroxyphenoxy]-2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenyl]benzene-1,3,5-triol (PubChem CID 163001717) has the molecular formula C48H33ClO24 and a molecular weight of 1029.22 g/mol. Its IUPAC name is 2-[3-[2-(4-chloro-3,5-dihydroxyphenoxy)-3-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)-3-(2,4,6-trihydroxyphenyl)phenoxy]-5-hydroxyphenoxy]-2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenyl]benzene-1,3,5-triol.

Molecular Properties

• Compound Name: 2-[3-[2-(4-chloro-3,5-dihydroxyphenoxy)-3-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)-3-(2,4,6-trihydroxyphenyl)phenoxy]-5-hydroxyphenoxy]-2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenyl]benzene-1,3,5-triol
• PubChem CID: 163001717
• Molecular Formula: C48H33ClO24
• Molecular Weight: 1029.22 g/mol
• Exact Mass: 1028.11
• IUPAC Name: 2-[3-[2-(4-chloro-3,5-dihydroxyphenoxy)-3-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)-3-(2,4,6-trihydroxyphenyl)phenoxy]-5-hydroxyphenoxy]-2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenyl]benzene-1,3,5-triol
• SMILES: Oc1cc(O)c(Oc2cc(O)c(Oc3cc(O)cc(Oc4c(O)cc(Oc5c(O)cc(O)cc5O)c(-c5c(O)cc(O)cc5O)c4O)c3Oc3cc(O)c(Cl)c(O)c3)c(O)c2-c2c(O)cc(O)cc2O)c(O)c1
• InChI: InChI=1S/C48H33ClO24/c49-41-25(59)11-20(12-26(41)60)69-48-35(72-46-31(65)13-33(70-44-27(61)5-17(52)6-28(44)62)39(42(46)67)37-21(55)1-15(50)2-22(37)56)9-19(54)10-36(48)73-47-32(66)14-34(71-45-29(63)7-18(53)8-30(45)64)40(43(47)68)38-23(57)3-16(51)4-24(38)58/h1-14,50-68H
• InChIKey: SHDGFDPGRKVLNC-UHFFFAOYSA-N
• XLogP: 9.04
• TPSA: 430.52 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 24
• Rotatable Bonds: 12
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1029.22
LogP ≤ 5	9.04
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(4-chloro-3,5-dihydroxyphenoxy)-3-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)-3-(2,4,6-trihydroxyphenyl)phenoxy]-5-hydroxyphenoxy]-2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenyl]benzene-1,3,5-triol?

The IUPAC name of 2-[3-[2-(4-chloro-3,5-dihydroxyphenoxy)-3-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)-3-(2,4,6-trihydroxyphenyl)phenoxy]-5-hydroxyphenoxy]-2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenyl]benzene-1,3,5-triol (CID 163001717) is 2-[3-[2-(4-chloro-3,5-dihydroxyphenoxy)-3-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)-3-(2,4,6-trihydroxyphenyl)phenoxy]-5-hydroxyphenoxy]-2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenyl]benzene-1,3,5-triol.

What is the SMILES notation for 2-[3-[2-(4-chloro-3,5-dihydroxyphenoxy)-3-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)-3-(2,4,6-trihydroxyphenyl)phenoxy]-5-hydroxyphenoxy]-2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenyl]benzene-1,3,5-triol?

The canonical SMILES for 2-[3-[2-(4-chloro-3,5-dihydroxyphenoxy)-3-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)-3-(2,4,6-trihydroxyphenyl)phenoxy]-5-hydroxyphenoxy]-2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenyl]benzene-1,3,5-triol is Oc1cc(O)c(Oc2cc(O)c(Oc3cc(O)cc(Oc4c(O)cc(Oc5c(O)cc(O)cc5O)c(-c5c(O)cc(O)cc5O)c4O)c3Oc3cc(O)c(Cl)c(O)c3)c(O)c2-c2c(O)cc(O)cc2O)c(O)c1.

What is the InChIKey of 2-[3-[2-(4-chloro-3,5-dihydroxyphenoxy)-3-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)-3-(2,4,6-trihydroxyphenyl)phenoxy]-5-hydroxyphenoxy]-2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenyl]benzene-1,3,5-triol?

The InChIKey is SHDGFDPGRKVLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33ClO24/c49-41-25(59)11-20(12-26(41)60)69-48-35(72-46-31(65)13-33(70-44-27(61)5-17(52)6-28(44)62)39(42(46)67)37-21(55)1-15(50)2-22(37)56)9-19(54)10-36(48)73-47-32(66)14-34(71-45-29(63)7-18(53)8-30(45)64)40(43(47)68)38-23(57)3-16(51)4-24(38)58/h1-14,50-68H.

What are the key properties of 2-[3-[2-(4-chloro-3,5-dihydroxyphenoxy)-3-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)-3-(2,4,6-trihydroxyphenyl)phenoxy]-5-hydroxyphenoxy]-2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenyl]benzene-1,3,5-triol?

2-[3-[2-(4-chloro-3,5-dihydroxyphenoxy)-3-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)-3-(2,4,6-trihydroxyphenyl)phenoxy]-5-hydroxyphenoxy]-2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenyl]benzene-1,3,5-triol has a molecular weight of 1029.22 g/mol, XLogP of 9.04, 12 rotatable bonds, 19 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[2-(4-chloro-3,5-dihydroxyphenoxy)-3-[2,6-dihydroxy-4-(2,4,6-trihydroxyphenoxy)-3-(2,4,6-trihydroxyphenyl)phenoxy]-5-hydroxyphenoxy]-2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenyl]benzene-1,3,5-triol is sourced from PubChem (CID 163001717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).