1-[5-[[4-[[3-acetyl-4-hydroxy-5-(methoxymethyl)phenyl]-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]phenyl]-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-2-hydroxy-3-(methoxymethyl)phenyl]ethanone;2,6-bis[[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-4-methylphenol;4-[2-[4-[1-[3-(ethoxymethyl)-4-hydroxy-5-(2-methoxyethyl)phenyl]-1-[3-(ethoxymethyl)-4-hydroxy-5-methylphenyl]ethyl]phenyl]propan-2-yl]-2,6-dimethylphenol;1-[2-hydroxy-5-[[2-hydroxy-3-[[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-5-methylphenyl]methyl]-3-(methoxymethyl)phenyl]ethanone

C143H168O32 — CID 158859529

IUPAC1-[5-[[4-[[3-acetyl-4-hydroxy-5-(methoxymethyl)phenyl]-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]phenyl]-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-2-hydroxy-3-(methoxymethyl)phenyl]ethanone;2,6-bis[[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-4-methylphenol;4-[2-[4-[1-[3-(ethoxymethyl)-4-hydroxy-5-(2-methoxyethyl)phenyl]-1-[3-(ethoxymethyl)-4-hydroxy-5-methylphenyl]ethyl]phenyl]propan-2-yl]-2,6-dimethylphenol;1-[2-hydroxy-5-[[2-hydroxy-3-[[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-5-methylphenyl]methyl]-3-(methoxymethyl)phenyl]ethanone
SMILESCCOCc1cc(C(C)(c2ccc(C(C)(C)c3cc(C)c(O)c(C)c3)cc2)c2cc(CCOC)c(O)c(COCC)c2)cc(C)c1O.COCc1cc(C(c2ccc(C(c3cc(COC)c(O)c(COC)c3)c3cc(COC)c(O)c(C(C)=O)c3)cc2)c2cc(COC)c(O)c(C(C)=O)c2)cc(COC)c1O.COCc1cc(Cc2cc(C)cc(Cc3cc(COC)c(O)c(C(C)=O)c3)c2O)cc(COC)c1O.Cc1cc(Cc2cc(CO)c(O)c(CO)c2)c(O)c(Cc2cc(CO)c(O)c(CO)c2)c1
InChIInChI=1S/C48H54O12.C41H52O6.C29H34O7.C25H28O7/c1-27(49)41-19-33(17-39(25-59-7)47(41)53)43(31-13-35(21-55-3)45(51)36(14-31)22-56-4)29-9-11-30(12-10-29)44(32-15-37(23-57-5)46(52)38(16-32)24-58-6)34-18-40(26-60-8)48(54)42(20-34)28(2)50;1-10-46-24-30-22-35(20-28(5)38(30)43)41(8,36-21-29(16-17-45-9)39(44)31(23-36)25-47-11-2)33-14-12-32(13-15-33)40(6,7)34-18-26(3)37(42)27(4)19-34;1-17-6-21(8-19-10-23(14-34-3)28(32)24(11-19)15-35-4)27(31)22(7-17)9-20-12-25(16-36-5)29(33)26(13-20)18(2)30;1-14-2-17(4-15-6-19(10-26)24(31)20(7-15)11-27)23(30)18(3-14)5-16-8-21(12-28)25(32)22(9-16)13-29/h9-20,43-44,51-54H,21-26H2,1-8H3;12-15,18-23,42-44H,10-11,16-17,24-25H2,1-9H3;6-7,10-13,31-33H,8-9,14-16H2,1-5H3;2-3,6-9,26-32H,4-5,10-13H2,1H3
InChIKeyJAMDMDLDAKSATP-UHFFFAOYSA-N
MW2398.88 g/mol
LogP24.02
Rot. Bonds53

About 1-[5-[[4-[[3-acetyl-4-hydroxy-5-(methoxymethyl)phenyl]-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]phenyl]-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-2-hydroxy-3-(methoxymethyl)phenyl]ethanone;2,6-bis[[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-4-methylphenol;4-[2-[4-[1-[3-(ethoxymethyl)-4-hydroxy-5-(2-methoxyethyl)phenyl]-1-[3-(ethoxymethyl)-4-hydroxy-5-methylphenyl]ethyl]phenyl]propan-2-yl]-2,6-dimethylphenol;1-[2-hydroxy-5-[[2-hydroxy-3-[[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-5-methylphenyl]methyl]-3-(methoxymethyl)phenyl]ethanone

1-[5-[[4-[[3-acetyl-4-hydroxy-5-(methoxymethyl)phenyl]-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]phenyl]-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-2-hydroxy-3-(methoxymethyl)phenyl]ethanone;2,6-bis[[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-4-methylphenol;4-[2-[4-[1-[3-(ethoxymethyl)-4-hydroxy-5-(2-methoxyethyl)phenyl]-1-[3-(ethoxymethyl)-4-hydroxy-5-methylphenyl]ethyl]phenyl]propan-2-yl]-2,6-dimethylphenol;1-[2-hydroxy-5-[[2-hydroxy-3-[[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-5-methylphenyl]methyl]-3-(methoxymethyl)phenyl]ethanone (PubChem CID 158859529) has the molecular formula C143H168O32 and a molecular weight of 2398.88 g/mol. Its IUPAC name is 1-[5-[[4-[[3-acetyl-4-hydroxy-5-(methoxymethyl)phenyl]-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]phenyl]-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-2-hydroxy-3-(methoxymethyl)phenyl]ethanone;2,6-bis[[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-4-methylphenol;4-[2-[4-[1-[3-(ethoxymethyl)-4-hydroxy-5-(2-methoxyethyl)phenyl]-1-[3-(ethoxymethyl)-4-hydroxy-5-methylphenyl]ethyl]phenyl]propan-2-yl]-2,6-dimethylphenol;1-[2-hydroxy-5-[[2-hydroxy-3-[[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-5-methylphenyl]methyl]-3-(methoxymethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[5-[[4-[[3-acetyl-4-hydroxy-5-(methoxymethyl)phenyl]-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]phenyl]-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-2-hydroxy-3-(methoxymethyl)phenyl]ethanone;2,6-bis[[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-4-methylphenol;4-[2-[4-[1-[3-(ethoxymethyl)-4-hydroxy-5-(2-methoxyethyl)phenyl]-1-[3-(ethoxymethyl)-4-hydroxy-5-methylphenyl]ethyl]phenyl]propan-2-yl]-2,6-dimethylphenol;1-[2-hydroxy-5-[[2-hydroxy-3-[[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-5-methylphenyl]methyl]-3-(methoxymethyl)phenyl]ethanone
PubChem CID158859529
Molecular FormulaC143H168O32
Molecular Weight2398.88 g/mol
Exact Mass2397.15
IUPAC Name1-[5-[[4-[[3-acetyl-4-hydroxy-5-(methoxymethyl)phenyl]-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]phenyl]-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-2-hydroxy-3-(methoxymethyl)phenyl]ethanone;2,6-bis[[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-4-methylphenol;4-[2-[4-[1-[3-(ethoxymethyl)-4-hydroxy-5-(2-methoxyethyl)phenyl]-1-[3-(ethoxymethyl)-4-hydroxy-5-methylphenyl]ethyl]phenyl]propan-2-yl]-2,6-dimethylphenol;1-[2-hydroxy-5-[[2-hydroxy-3-[[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-5-methylphenyl]methyl]-3-(methoxymethyl)phenyl]ethanone
SMILESCCOCc1cc(C(C)(c2ccc(C(C)(C)c3cc(C)c(O)c(C)c3)cc2)c2cc(CCOC)c(O)c(COCC)c2)cc(C)c1O.COCc1cc(C(c2ccc(C(c3cc(COC)c(O)c(COC)c3)c3cc(COC)c(O)c(C(C)=O)c3)cc2)c2cc(COC)c(O)c(C(C)=O)c2)cc(COC)c1O.COCc1cc(Cc2cc(C)cc(Cc3cc(COC)c(O)c(C(C)=O)c3)c2O)cc(COC)c1O.Cc1cc(Cc2cc(CO)c(O)c(CO)c2)c(O)c(Cc2cc(CO)c(O)c(CO)c2)c1
InChIInChI=1S/C48H54O12.C41H52O6.C29H34O7.C25H28O7/c1-27(49)41-19-33(17-39(25-59-7)47(41)53)43(31-13-35(21-55-3)45(51)36(14-31)22-56-4)29-9-11-30(12-10-29)44(32-15-37(23-57-5)46(52)38(16-32)24-58-6)34-18-40(26-60-8)48(54)42(20-34)28(2)50;1-10-46-24-30-22-35(20-28(5)38(30)43)41(8,36-21-29(16-17-45-9)39(44)31(23-36)25-47-11-2)33-14-12-32(13-15-33)40(6,7)34-18-26(3)37(42)27(4)19-34;1-17-6-21(8-19-10-23(14-34-3)28(32)24(11-19)15-35-4)27(31)22(7-17)9-20-12-25(16-36-5)29(33)26(13-20)18(2)30;1-14-2-17(4-15-6-19(10-26)24(31)20(7-15)11-27)23(30)18(3-14)5-16-8-21(12-28)25(32)22(9-16)13-29/h9-20,43-44,51-54H,21-26H2,1-8H3;12-15,18-23,42-44H,10-11,16-17,24-25H2,1-9H3;6-7,10-13,31-33H,8-9,14-16H2,1-5H3;2-3,6-9,26-32H,4-5,10-13H2,1H3
InChIKeyJAMDMDLDAKSATP-UHFFFAOYSA-N
XLogP24.02
TPSA505.88 Ų
H-Bond Donors17
H-Bond Acceptors32
Rotatable Bonds53
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002398.88
LogP ≤ 524.02
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 1-[5-[[4-[[3-acetyl-4-hydroxy-5-(methoxymethyl)phenyl]-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]phenyl]-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-2-hydroxy-3-(methoxymethyl)phenyl]ethanone;2,6-bis[[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-4-methylphenol;4-[2-[4-[1-[3-(ethoxymethyl)-4-hydroxy-5-(2-methoxyethyl)phenyl]-1-[3-(ethoxymethyl)-4-hydroxy-5-methylphenyl]ethyl]phenyl]propan-2-yl]-2,6-dimethylphenol;1-[2-hydroxy-5-[[2-hydroxy-3-[[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-5-methylphenyl]methyl]-3-(methoxymethyl)phenyl]ethanone with MolForge

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Related Compounds

4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-2-ethyl-6-(hydroxymethyl)phenol;4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2-ethyl-6-(hydroxymethyl)phenol;4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol;4-[[10-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]anthracen-9-yl]methyl]-2,6-bis(hydroxymethyl)phenol
CID 167657189
4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis(hydroxymethyl)phenol
CID 22743719
4-[[2-hydroxy-5-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]-2-[4-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]propan-2-yl]phenyl]ethyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol
CID 172738115
4-[2-[3,5-bis(2-ethoxyethoxymethyl)-4-hydroxyphenyl]propan-2-yl]-2-(2-ethoxyethoxymethyl)-6-(2-methoxyethoxymethyl)phenol
CID 176631810
4-[2-[4-[1-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]-1-[4-hydroxy-3-(methoxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol
CID 157433719
4-[2-[4-[1-[4-hydroxy-3,5-bis[(4-hydroxyphenyl)methyl]phenyl]-1-[3-[(4-hydroxyphenyl)methyl]-5-[(4-methylphenyl)methyl]phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis[(4-hydroxyphenyl)methyl]phenol
CID 143901395
2-(2-hydroxyethyl)-4-[2-[3-[2-[4-hydroxy-3-(2-hydroxyethyl)-5-(methoxymethyl)phenyl]propan-2-yl]-5-[2-[4-hydroxy-3-(hydroxymethyl)-5-(methoxymethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-6-(hydroxymethyl)phenol
CID 90335386
4-[[4-[bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]phenyl]-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-2-(methoxymethyl)-6-propylphenol
CID 118592164
4-[[4-[bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]phenyl]-(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol
CID 118593439
4-[[4-[bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]phenyl]-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-2,6-bis(methoxymethyl)phenol
CID 21344501
4-[1,1-bis[3,5-bis(ethoxymethyl)-4-hydroxyphenyl]ethyl]-2-(ethoxymethyl)-6-ethylphenol
CID 59541081
4-[1-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-1-[4-hydroxy-3-(hydroxymethyl)-5-methylphenyl]ethyl]-2,6-dimethylphenol;methanol
CID 145345584

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[4-[[3-acetyl-4-hydroxy-5-(methoxymethyl)phenyl]-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]phenyl]-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-2-hydroxy-3-(methoxymethyl)phenyl]ethanone;2,6-bis[[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-4-methylphenol;4-[2-[4-[1-[3-(ethoxymethyl)-4-hydroxy-5-(2-methoxyethyl)phenyl]-1-[3-(ethoxymethyl)-4-hydroxy-5-methylphenyl]ethyl]phenyl]propan-2-yl]-2,6-dimethylphenol;1-[2-hydroxy-5-[[2-hydroxy-3-[[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-5-methylphenyl]methyl]-3-(methoxymethyl)phenyl]ethanone?
The IUPAC name of 1-[5-[[4-[[3-acetyl-4-hydroxy-5-(methoxymethyl)phenyl]-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]phenyl]-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-2-hydroxy-3-(methoxymethyl)phenyl]ethanone;2,6-bis[[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-4-methylphenol;4-[2-[4-[1-[3-(ethoxymethyl)-4-hydroxy-5-(2-methoxyethyl)phenyl]-1-[3-(ethoxymethyl)-4-hydroxy-5-methylphenyl]ethyl]phenyl]propan-2-yl]-2,6-dimethylphenol;1-[2-hydroxy-5-[[2-hydroxy-3-[[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-5-methylphenyl]methyl]-3-(methoxymethyl)phenyl]ethanone (CID 158859529) is 1-[5-[[4-[[3-acetyl-4-hydroxy-5-(methoxymethyl)phenyl]-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]phenyl]-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-2-hydroxy-3-(methoxymethyl)phenyl]ethanone;2,6-bis[[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-4-methylphenol;4-[2-[4-[1-[3-(ethoxymethyl)-4-hydroxy-5-(2-methoxyethyl)phenyl]-1-[3-(ethoxymethyl)-4-hydroxy-5-methylphenyl]ethyl]phenyl]propan-2-yl]-2,6-dimethylphenol;1-[2-hydroxy-5-[[2-hydroxy-3-[[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-5-methylphenyl]methyl]-3-(methoxymethyl)phenyl]ethanone.
What is the SMILES notation for 1-[5-[[4-[[3-acetyl-4-hydroxy-5-(methoxymethyl)phenyl]-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]phenyl]-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-2-hydroxy-3-(methoxymethyl)phenyl]ethanone;2,6-bis[[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-4-methylphenol;4-[2-[4-[1-[3-(ethoxymethyl)-4-hydroxy-5-(2-methoxyethyl)phenyl]-1-[3-(ethoxymethyl)-4-hydroxy-5-methylphenyl]ethyl]phenyl]propan-2-yl]-2,6-dimethylphenol;1-[2-hydroxy-5-[[2-hydroxy-3-[[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-5-methylphenyl]methyl]-3-(methoxymethyl)phenyl]ethanone?
The canonical SMILES for 1-[5-[[4-[[3-acetyl-4-hydroxy-5-(methoxymethyl)phenyl]-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]phenyl]-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-2-hydroxy-3-(methoxymethyl)phenyl]ethanone;2,6-bis[[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-4-methylphenol;4-[2-[4-[1-[3-(ethoxymethyl)-4-hydroxy-5-(2-methoxyethyl)phenyl]-1-[3-(ethoxymethyl)-4-hydroxy-5-methylphenyl]ethyl]phenyl]propan-2-yl]-2,6-dimethylphenol;1-[2-hydroxy-5-[[2-hydroxy-3-[[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-5-methylphenyl]methyl]-3-(methoxymethyl)phenyl]ethanone is CCOCc1cc(C(C)(c2ccc(C(C)(C)c3cc(C)c(O)c(C)c3)cc2)c2cc(CCOC)c(O)c(COCC)c2)cc(C)c1O.COCc1cc(C(c2ccc(C(c3cc(COC)c(O)c(COC)c3)c3cc(COC)c(O)c(C(C)=O)c3)cc2)c2cc(COC)c(O)c(C(C)=O)c2)cc(COC)c1O.COCc1cc(Cc2cc(C)cc(Cc3cc(COC)c(O)c(C(C)=O)c3)c2O)cc(COC)c1O.Cc1cc(Cc2cc(CO)c(O)c(CO)c2)c(O)c(Cc2cc(CO)c(O)c(CO)c2)c1.
What is the InChIKey of 1-[5-[[4-[[3-acetyl-4-hydroxy-5-(methoxymethyl)phenyl]-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]phenyl]-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-2-hydroxy-3-(methoxymethyl)phenyl]ethanone;2,6-bis[[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-4-methylphenol;4-[2-[4-[1-[3-(ethoxymethyl)-4-hydroxy-5-(2-methoxyethyl)phenyl]-1-[3-(ethoxymethyl)-4-hydroxy-5-methylphenyl]ethyl]phenyl]propan-2-yl]-2,6-dimethylphenol;1-[2-hydroxy-5-[[2-hydroxy-3-[[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-5-methylphenyl]methyl]-3-(methoxymethyl)phenyl]ethanone?
The InChIKey is JAMDMDLDAKSATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H54O12.C41H52O6.C29H34O7.C25H28O7/c1-27(49)41-19-33(17-39(25-59-7)47(41)53)43(31-13-35(21-55-3)45(51)36(14-31)22-56-4)29-9-11-30(12-10-29)44(32-15-37(23-57-5)46(52)38(16-32)24-58-6)34-18-40(26-60-8)48(54)42(20-34)28(2)50;1-10-46-24-30-22-35(20-28(5)38(30)43)41(8,36-21-29(16-17-45-9)39(44)31(23-36)25-47-11-2)33-14-12-32(13-15-33)40(6,7)34-18-26(3)37(42)27(4)19-34;1-17-6-21(8-19-10-23(14-34-3)28(32)24(11-19)15-35-4)27(31)22(7-17)9-20-12-25(16-36-5)29(33)26(13-20)18(2)30;1-14-2-17(4-15-6-19(10-26)24(31)20(7-15)11-27)23(30)18(3-14)5-16-8-21(12-28)25(32)22(9-16)13-29/h9-20,43-44,51-54H,21-26H2,1-8H3;12-15,18-23,42-44H,10-11,16-17,24-25H2,1-9H3;6-7,10-13,31-33H,8-9,14-16H2,1-5H3;2-3,6-9,26-32H,4-5,10-13H2,1H3.
What are the key properties of 1-[5-[[4-[[3-acetyl-4-hydroxy-5-(methoxymethyl)phenyl]-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]phenyl]-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-2-hydroxy-3-(methoxymethyl)phenyl]ethanone;2,6-bis[[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-4-methylphenol;4-[2-[4-[1-[3-(ethoxymethyl)-4-hydroxy-5-(2-methoxyethyl)phenyl]-1-[3-(ethoxymethyl)-4-hydroxy-5-methylphenyl]ethyl]phenyl]propan-2-yl]-2,6-dimethylphenol;1-[2-hydroxy-5-[[2-hydroxy-3-[[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-5-methylphenyl]methyl]-3-(methoxymethyl)phenyl]ethanone?
1-[5-[[4-[[3-acetyl-4-hydroxy-5-(methoxymethyl)phenyl]-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]phenyl]-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-2-hydroxy-3-(methoxymethyl)phenyl]ethanone;2,6-bis[[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-4-methylphenol;4-[2-[4-[1-[3-(ethoxymethyl)-4-hydroxy-5-(2-methoxyethyl)phenyl]-1-[3-(ethoxymethyl)-4-hydroxy-5-methylphenyl]ethyl]phenyl]propan-2-yl]-2,6-dimethylphenol;1-[2-hydroxy-5-[[2-hydroxy-3-[[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-5-methylphenyl]methyl]-3-(methoxymethyl)phenyl]ethanone has a molecular weight of 2398.88 g/mol, XLogP of 24.02, 53 rotatable bonds, 17 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[4-[[3-acetyl-4-hydroxy-5-(methoxymethyl)phenyl]-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]phenyl]-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-2-hydroxy-3-(methoxymethyl)phenyl]ethanone;2,6-bis[[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-4-methylphenol;4-[2-[4-[1-[3-(ethoxymethyl)-4-hydroxy-5-(2-methoxyethyl)phenyl]-1-[3-(ethoxymethyl)-4-hydroxy-5-methylphenyl]ethyl]phenyl]propan-2-yl]-2,6-dimethylphenol;1-[2-hydroxy-5-[[2-hydroxy-3-[[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-5-methylphenyl]methyl]-3-(methoxymethyl)phenyl]ethanone is sourced from PubChem (CID 158859529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).