bis[2-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl] benzene-1,4-dicarboxylate;4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol;6-tert-butyl-4-[1-[5-tert-butyl-4-hydroxy-3-(methoxymethyl)-2-methylphenyl]butyl]-2-(methoxymethyl)-3-methylphenol;4-[9-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]fluoren-9-yl]-2,6-bis(methoxymethyl)phenol;4-[9-[4-hydroxy-3-(methoxymethyl)-5-methylphenyl]fluoren-9-yl]-2-(methoxymethyl)-6-methylphenol;2-[2-hydroxy-3-(methoxymethyl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfanyl-6-(methoxymethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol

C199H250O37S — CID 158472008

IUPACbis[2-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl] benzene-1,4-dicarboxylate;4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol;6-tert-butyl-4-[1-[5-tert-butyl-4-hydroxy-3-(methoxymethyl)-2-methylphenyl]butyl]-2-(methoxymethyl)-3-methylphenol;4-[9-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]fluoren-9-yl]-2,6-bis(methoxymethyl)phenol;4-[9-[4-hydroxy-3-(methoxymethyl)-5-methylphenyl]fluoren-9-yl]-2-(methoxymethyl)-6-methylphenol;2-[2-hydroxy-3-(methoxymethyl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfanyl-6-(methoxymethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCCCC(c1cc(C(C)(C)C)c(O)c(COC)c1C)c1cc(C(C)(C)C)c(O)c(COC)c1C.COCc1cc(C(C)(C)CC(C)(C)C)cc(Sc2cc(C(C)(C)CC(C)(C)C)cc(COC)c2O)c1O.COCc1cc(C(C)(C)c2ccc(C(C)(c3cc(COC)c(O)c(COC)c3)c3cc(COC)c(O)c(COC)c3)cc2)cc(COC)c1O.COCc1cc(C2(c3cc(C)c(O)c(COC)c3)c3ccccc3-c3ccccc32)cc(C)c1O.COCc1cc(C2(c3cc(COC)c(O)c(COC)c3)c3ccccc3-c3ccccc32)cc(COC)c1O.COCc1cc(CCOC(=O)c2ccc(C(=O)OCCc3cc(COC)c(O)c(COC)c3)cc2)cc(COC)c1O
InChIInChI=1S/C41H52O9.C33H34O6.C32H38O10.C32H50O4S.C31H30O4.C30H46O4/c1-40(2,34-14-26(20-45-4)37(42)27(15-34)21-46-5)32-10-12-33(13-11-32)41(3,35-16-28(22-47-6)38(43)29(17-35)23-48-7)36-18-30(24-49-8)39(44)31(19-36)25-50-9;1-36-17-21-13-25(14-22(18-37-2)31(21)34)33(26-15-23(19-38-3)32(35)24(16-26)20-39-4)29-11-7-5-9-27(29)28-10-6-8-12-30(28)33;1-37-17-25-13-21(14-26(18-38-2)29(25)33)9-11-41-31(35)23-5-7-24(8-6-23)32(36)42-12-10-22-15-27(19-39-3)30(34)28(16-22)20-40-4;1-29(2,3)19-31(7,8)23-13-21(17-35-11)27(33)25(15-23)37-26-16-24(14-22(18-36-12)28(26)34)32(9,10)20-30(4,5)6;1-19-13-23(15-21(17-34-3)29(19)32)31(24-14-20(2)30(33)22(16-24)18-35-4)27-11-7-5-9-25(27)26-10-6-8-12-28(26)31;1-12-13-20(21-14-25(29(4,5)6)27(31)23(16-33-10)18(21)2)22-15-26(30(7,8)9)28(32)24(17-34-11)19(22)3/h10-19,42-44H,20-25H2,1-9H3;5-16,34-35H,17-20H2,1-4H3;5-8,13-16,33-34H,9-12,17-20H2,1-4H3;13-16,33-34H,17-20H2,1-12H3;5-16,32-33H,17-18H2,1-4H3;14-15,20,31-32H,12-13,16-17H2,1-11H3
InChIKeyHGLQGMHADPRECG-UHFFFAOYSA-N
MW3266.22 g/mol
LogP40.77
Rot. Bonds67

About bis[2-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl] benzene-1,4-dicarboxylate;4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol;6-tert-butyl-4-[1-[5-tert-butyl-4-hydroxy-3-(methoxymethyl)-2-methylphenyl]butyl]-2-(methoxymethyl)-3-methylphenol;4-[9-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]fluoren-9-yl]-2,6-bis(methoxymethyl)phenol;4-[9-[4-hydroxy-3-(methoxymethyl)-5-methylphenyl]fluoren-9-yl]-2-(methoxymethyl)-6-methylphenol;2-[2-hydroxy-3-(methoxymethyl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfanyl-6-(methoxymethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol

bis[2-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl] benzene-1,4-dicarboxylate;4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol;6-tert-butyl-4-[1-[5-tert-butyl-4-hydroxy-3-(methoxymethyl)-2-methylphenyl]butyl]-2-(methoxymethyl)-3-methylphenol;4-[9-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]fluoren-9-yl]-2,6-bis(methoxymethyl)phenol;4-[9-[4-hydroxy-3-(methoxymethyl)-5-methylphenyl]fluoren-9-yl]-2-(methoxymethyl)-6-methylphenol;2-[2-hydroxy-3-(methoxymethyl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfanyl-6-(methoxymethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol (PubChem CID 158472008) has the molecular formula C199H250O37S and a molecular weight of 3266.22 g/mol. Its IUPAC name is bis[2-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl] benzene-1,4-dicarboxylate;4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol;6-tert-butyl-4-[1-[5-tert-butyl-4-hydroxy-3-(methoxymethyl)-2-methylphenyl]butyl]-2-(methoxymethyl)-3-methylphenol;4-[9-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]fluoren-9-yl]-2,6-bis(methoxymethyl)phenol;4-[9-[4-hydroxy-3-(methoxymethyl)-5-methylphenyl]fluoren-9-yl]-2-(methoxymethyl)-6-methylphenol;2-[2-hydroxy-3-(methoxymethyl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfanyl-6-(methoxymethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol.

Molecular Properties

Compound Namebis[2-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl] benzene-1,4-dicarboxylate;4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol;6-tert-butyl-4-[1-[5-tert-butyl-4-hydroxy-3-(methoxymethyl)-2-methylphenyl]butyl]-2-(methoxymethyl)-3-methylphenol;4-[9-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]fluoren-9-yl]-2,6-bis(methoxymethyl)phenol;4-[9-[4-hydroxy-3-(methoxymethyl)-5-methylphenyl]fluoren-9-yl]-2-(methoxymethyl)-6-methylphenol;2-[2-hydroxy-3-(methoxymethyl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfanyl-6-(methoxymethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol
PubChem CID158472008
Molecular FormulaC199H250O37S
Molecular Weight3266.22 g/mol
Exact Mass3263.74
IUPAC Namebis[2-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl] benzene-1,4-dicarboxylate;4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol;6-tert-butyl-4-[1-[5-tert-butyl-4-hydroxy-3-(methoxymethyl)-2-methylphenyl]butyl]-2-(methoxymethyl)-3-methylphenol;4-[9-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]fluoren-9-yl]-2,6-bis(methoxymethyl)phenol;4-[9-[4-hydroxy-3-(methoxymethyl)-5-methylphenyl]fluoren-9-yl]-2-(methoxymethyl)-6-methylphenol;2-[2-hydroxy-3-(methoxymethyl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfanyl-6-(methoxymethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCCCC(c1cc(C(C)(C)C)c(O)c(COC)c1C)c1cc(C(C)(C)C)c(O)c(COC)c1C.COCc1cc(C(C)(C)CC(C)(C)C)cc(Sc2cc(C(C)(C)CC(C)(C)C)cc(COC)c2O)c1O.COCc1cc(C(C)(C)c2ccc(C(C)(c3cc(COC)c(O)c(COC)c3)c3cc(COC)c(O)c(COC)c3)cc2)cc(COC)c1O.COCc1cc(C2(c3cc(C)c(O)c(COC)c3)c3ccccc3-c3ccccc32)cc(C)c1O.COCc1cc(C2(c3cc(COC)c(O)c(COC)c3)c3ccccc3-c3ccccc32)cc(COC)c1O.COCc1cc(CCOC(=O)c2ccc(C(=O)OCCc3cc(COC)c(O)c(COC)c3)cc2)cc(COC)c1O
InChIInChI=1S/C41H52O9.C33H34O6.C32H38O10.C32H50O4S.C31H30O4.C30H46O4/c1-40(2,34-14-26(20-45-4)37(42)27(15-34)21-46-5)32-10-12-33(13-11-32)41(3,35-16-28(22-47-6)38(43)29(17-35)23-48-7)36-18-30(24-49-8)39(44)31(19-36)25-50-9;1-36-17-21-13-25(14-22(18-37-2)31(21)34)33(26-15-23(19-38-3)32(35)24(16-26)20-39-4)29-11-7-5-9-27(29)28-10-6-8-12-30(28)33;1-37-17-25-13-21(14-26(18-38-2)29(25)33)9-11-41-31(35)23-5-7-24(8-6-23)32(36)42-12-10-22-15-27(19-39-3)30(34)28(16-22)20-40-4;1-29(2,3)19-31(7,8)23-13-21(17-35-11)27(33)25(15-23)37-26-16-24(14-22(18-36-12)28(26)34)32(9,10)20-30(4,5)6;1-19-13-23(15-21(17-34-3)29(19)32)31(24-14-20(2)30(33)22(16-24)18-35-4)27-11-7-5-9-25(27)26-10-6-8-12-28(26)31;1-12-13-20(21-14-25(29(4,5)6)27(31)23(16-33-10)18(21)2)22-15-26(30(7,8)9)28(32)24(17-34-11)19(22)3/h10-19,42-44H,20-25H2,1-9H3;5-16,34-35H,17-20H2,1-4H3;5-8,13-16,33-34H,9-12,17-20H2,1-4H3;13-16,33-34H,17-20H2,1-12H3;5-16,32-33H,17-18H2,1-4H3;14-15,20,31-32H,12-13,16-17H2,1-11H3
InChIKeyHGLQGMHADPRECG-UHFFFAOYSA-N
XLogP40.77
TPSA500.19 Ų
H-Bond Donors13
H-Bond Acceptors38
Rotatable Bonds67
Heavy Atoms237
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003266.22
LogP ≤ 540.77
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

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

Analyze bis[2-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl] benzene-1,4-dicarboxylate;4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol;6-tert-butyl-4-[1-[5-tert-butyl-4-hydroxy-3-(methoxymethyl)-2-methylphenyl]butyl]-2-(methoxymethyl)-3-methylphenol;4-[9-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]fluoren-9-yl]-2,6-bis(methoxymethyl)phenol;4-[9-[4-hydroxy-3-(methoxymethyl)-5-methylphenyl]fluoren-9-yl]-2-(methoxymethyl)-6-methylphenol;2-[2-hydroxy-3-(methoxymethyl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfanyl-6-(methoxymethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol with MolForge

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Related Compounds

4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol;4-tert-butyl-2,6-bis(methoxymethyl)phenol;4-[9-[4-hydroxy-3-(methoxymethyl)-5-methylphenyl]fluoren-9-yl]-2-(methoxymethyl)-6-methylphenol
CID 162243224
[5-[9-[3-(acetyloxymethyl)-4-hydroxy-5-methylphenyl]fluoren-9-yl]-2-hydroxy-3-methylphenyl]methyl acetate
CID 122578306
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
2-(methoxymethyl)-4-(9-phenylfluoren-9-yl)naphthalen-1-ol
CID 129231534
2-phenylethyl 4-hydroxybenzoate
CID 11977778
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
4-[3,3-bis[4-hydroxy-3-(methoxymethyl)-5-methylphenyl]butyl]-2-(methoxymethyl)-6-methylphenol
CID 168854578
1,3-bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;9,9-bis(4-methylphenyl)fluorene;5-[(3,5-diethyl-4-methylphenyl)methyl]-1,3-diethyl-2-methylbenzene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;4-methyl-N-(4-methylphenyl)benzamide;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-3-(4-methylphenyl)sulfonylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,2,3-trimethyl-5-[(3,4,5-trimethylphenyl)methyl]benzene;1,4-xylene
CID 159729164
butane;9-(4-ethoxyphenyl)-9-[4-(2-methoxyethoxy)phenyl]fluorene;methane;2-[4-[9-(4-propoxyphenyl)fluoren-9-yl]phenoxy]ethyl 4-formylbenzoate
CID 143766876
2-tert-butyl-4-[1-(5-tert-butyl-4-hydroxy-2-methylphenyl)butyl]-5-methylphenol;octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 123299017
9,9-bis(3,4-dimethylphenyl)fluorene;9,9-bis(4-methylphenyl)fluorene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 161144042
[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]-[4-(3-methylpentan-3-yl)phenyl]methanone
CID 71000391

Frequently Asked Questions

What is the IUPAC name of bis[2-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl] benzene-1,4-dicarboxylate;4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol;6-tert-butyl-4-[1-[5-tert-butyl-4-hydroxy-3-(methoxymethyl)-2-methylphenyl]butyl]-2-(methoxymethyl)-3-methylphenol;4-[9-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]fluoren-9-yl]-2,6-bis(methoxymethyl)phenol;4-[9-[4-hydroxy-3-(methoxymethyl)-5-methylphenyl]fluoren-9-yl]-2-(methoxymethyl)-6-methylphenol;2-[2-hydroxy-3-(methoxymethyl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfanyl-6-(methoxymethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol?
The IUPAC name of bis[2-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl] benzene-1,4-dicarboxylate;4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol;6-tert-butyl-4-[1-[5-tert-butyl-4-hydroxy-3-(methoxymethyl)-2-methylphenyl]butyl]-2-(methoxymethyl)-3-methylphenol;4-[9-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]fluoren-9-yl]-2,6-bis(methoxymethyl)phenol;4-[9-[4-hydroxy-3-(methoxymethyl)-5-methylphenyl]fluoren-9-yl]-2-(methoxymethyl)-6-methylphenol;2-[2-hydroxy-3-(methoxymethyl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfanyl-6-(methoxymethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol (CID 158472008) is bis[2-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl] benzene-1,4-dicarboxylate;4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol;6-tert-butyl-4-[1-[5-tert-butyl-4-hydroxy-3-(methoxymethyl)-2-methylphenyl]butyl]-2-(methoxymethyl)-3-methylphenol;4-[9-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]fluoren-9-yl]-2,6-bis(methoxymethyl)phenol;4-[9-[4-hydroxy-3-(methoxymethyl)-5-methylphenyl]fluoren-9-yl]-2-(methoxymethyl)-6-methylphenol;2-[2-hydroxy-3-(methoxymethyl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfanyl-6-(methoxymethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol.
What is the SMILES notation for bis[2-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl] benzene-1,4-dicarboxylate;4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol;6-tert-butyl-4-[1-[5-tert-butyl-4-hydroxy-3-(methoxymethyl)-2-methylphenyl]butyl]-2-(methoxymethyl)-3-methylphenol;4-[9-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]fluoren-9-yl]-2,6-bis(methoxymethyl)phenol;4-[9-[4-hydroxy-3-(methoxymethyl)-5-methylphenyl]fluoren-9-yl]-2-(methoxymethyl)-6-methylphenol;2-[2-hydroxy-3-(methoxymethyl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfanyl-6-(methoxymethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol?
The canonical SMILES for bis[2-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl] benzene-1,4-dicarboxylate;4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol;6-tert-butyl-4-[1-[5-tert-butyl-4-hydroxy-3-(methoxymethyl)-2-methylphenyl]butyl]-2-(methoxymethyl)-3-methylphenol;4-[9-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]fluoren-9-yl]-2,6-bis(methoxymethyl)phenol;4-[9-[4-hydroxy-3-(methoxymethyl)-5-methylphenyl]fluoren-9-yl]-2-(methoxymethyl)-6-methylphenol;2-[2-hydroxy-3-(methoxymethyl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfanyl-6-(methoxymethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol is CCCC(c1cc(C(C)(C)C)c(O)c(COC)c1C)c1cc(C(C)(C)C)c(O)c(COC)c1C.COCc1cc(C(C)(C)CC(C)(C)C)cc(Sc2cc(C(C)(C)CC(C)(C)C)cc(COC)c2O)c1O.COCc1cc(C(C)(C)c2ccc(C(C)(c3cc(COC)c(O)c(COC)c3)c3cc(COC)c(O)c(COC)c3)cc2)cc(COC)c1O.COCc1cc(C2(c3cc(C)c(O)c(COC)c3)c3ccccc3-c3ccccc32)cc(C)c1O.COCc1cc(C2(c3cc(COC)c(O)c(COC)c3)c3ccccc3-c3ccccc32)cc(COC)c1O.COCc1cc(CCOC(=O)c2ccc(C(=O)OCCc3cc(COC)c(O)c(COC)c3)cc2)cc(COC)c1O.
What is the InChIKey of bis[2-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl] benzene-1,4-dicarboxylate;4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol;6-tert-butyl-4-[1-[5-tert-butyl-4-hydroxy-3-(methoxymethyl)-2-methylphenyl]butyl]-2-(methoxymethyl)-3-methylphenol;4-[9-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]fluoren-9-yl]-2,6-bis(methoxymethyl)phenol;4-[9-[4-hydroxy-3-(methoxymethyl)-5-methylphenyl]fluoren-9-yl]-2-(methoxymethyl)-6-methylphenol;2-[2-hydroxy-3-(methoxymethyl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfanyl-6-(methoxymethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol?
The InChIKey is HGLQGMHADPRECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H52O9.C33H34O6.C32H38O10.C32H50O4S.C31H30O4.C30H46O4/c1-40(2,34-14-26(20-45-4)37(42)27(15-34)21-46-5)32-10-12-33(13-11-32)41(3,35-16-28(22-47-6)38(43)29(17-35)23-48-7)36-18-30(24-49-8)39(44)31(19-36)25-50-9;1-36-17-21-13-25(14-22(18-37-2)31(21)34)33(26-15-23(19-38-3)32(35)24(16-26)20-39-4)29-11-7-5-9-27(29)28-10-6-8-12-30(28)33;1-37-17-25-13-21(14-26(18-38-2)29(25)33)9-11-41-31(35)23-5-7-24(8-6-23)32(36)42-12-10-22-15-27(19-39-3)30(34)28(16-22)20-40-4;1-29(2,3)19-31(7,8)23-13-21(17-35-11)27(33)25(15-23)37-26-16-24(14-22(18-36-12)28(26)34)32(9,10)20-30(4,5)6;1-19-13-23(15-21(17-34-3)29(19)32)31(24-14-20(2)30(33)22(16-24)18-35-4)27-11-7-5-9-25(27)26-10-6-8-12-28(26)31;1-12-13-20(21-14-25(29(4,5)6)27(31)23(16-33-10)18(21)2)22-15-26(30(7,8)9)28(32)24(17-34-11)19(22)3/h10-19,42-44H,20-25H2,1-9H3;5-16,34-35H,17-20H2,1-4H3;5-8,13-16,33-34H,9-12,17-20H2,1-4H3;13-16,33-34H,17-20H2,1-12H3;5-16,32-33H,17-18H2,1-4H3;14-15,20,31-32H,12-13,16-17H2,1-11H3.
What are the key properties of bis[2-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl] benzene-1,4-dicarboxylate;4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol;6-tert-butyl-4-[1-[5-tert-butyl-4-hydroxy-3-(methoxymethyl)-2-methylphenyl]butyl]-2-(methoxymethyl)-3-methylphenol;4-[9-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]fluoren-9-yl]-2,6-bis(methoxymethyl)phenol;4-[9-[4-hydroxy-3-(methoxymethyl)-5-methylphenyl]fluoren-9-yl]-2-(methoxymethyl)-6-methylphenol;2-[2-hydroxy-3-(methoxymethyl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfanyl-6-(methoxymethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol?
bis[2-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl] benzene-1,4-dicarboxylate;4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol;6-tert-butyl-4-[1-[5-tert-butyl-4-hydroxy-3-(methoxymethyl)-2-methylphenyl]butyl]-2-(methoxymethyl)-3-methylphenol;4-[9-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]fluoren-9-yl]-2,6-bis(methoxymethyl)phenol;4-[9-[4-hydroxy-3-(methoxymethyl)-5-methylphenyl]fluoren-9-yl]-2-(methoxymethyl)-6-methylphenol;2-[2-hydroxy-3-(methoxymethyl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfanyl-6-(methoxymethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol has a molecular weight of 3266.22 g/mol, XLogP of 40.77, 67 rotatable bonds, 13 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl] benzene-1,4-dicarboxylate;4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol;6-tert-butyl-4-[1-[5-tert-butyl-4-hydroxy-3-(methoxymethyl)-2-methylphenyl]butyl]-2-(methoxymethyl)-3-methylphenol;4-[9-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]fluoren-9-yl]-2,6-bis(methoxymethyl)phenol;4-[9-[4-hydroxy-3-(methoxymethyl)-5-methylphenyl]fluoren-9-yl]-2-(methoxymethyl)-6-methylphenol;2-[2-hydroxy-3-(methoxymethyl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfanyl-6-(methoxymethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol is sourced from PubChem (CID 158472008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).