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

C86H104O16 — CID 162243224

IUPAC4-[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
SMILESCOCc1cc(C(C)(C)C)cc(COC)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
InChIInChI=1S/C41H52O9.C31H30O4.C14H22O3/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;1-19-13-23(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;1-14(2,3)12-6-10(8-16-4)13(15)11(7-12)9-17-5/h10-19,42-44H,20-25H2,1-9H3;5-16,32-33H,17-18H2,1-4H3;6-7,15H,8-9H2,1-5H3
InChIKeyZWZGDYSBMBMHKX-UHFFFAOYSA-N
MW1393.76 g/mol
LogP16.72
Rot. Bonds27

About 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

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 (PubChem CID 162243224) has the molecular formula C86H104O16 and a molecular weight of 1393.76 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID162243224
Molecular FormulaC86H104O16
Molecular Weight1393.76 g/mol
Exact Mass1392.73
IUPAC Name4-[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
SMILESCOCc1cc(C(C)(C)C)cc(COC)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
InChIInChI=1S/C41H52O9.C31H30O4.C14H22O3/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;1-19-13-23(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;1-14(2,3)12-6-10(8-16-4)13(15)11(7-12)9-17-5/h10-19,42-44H,20-25H2,1-9H3;5-16,32-33H,17-18H2,1-4H3;6-7,15H,8-9H2,1-5H3
InChIKeyZWZGDYSBMBMHKX-UHFFFAOYSA-N
XLogP16.72
TPSA213.68 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds27
Heavy Atoms102
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001393.76
LogP ≤ 516.72
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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
[5-[9-[3-(acetyloxymethyl)-4-hydroxy-5-methylphenyl]fluoren-9-yl]-2-hydroxy-3-methylphenyl]methyl acetate
CID 122578306
2-(methoxymethyl)-4-(9-phenylfluoren-9-yl)naphthalen-1-ol
CID 129231534
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-[7'-[2-(4-hydroxyphenyl)propan-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]propan-2-yl]phenol
CID 23369068
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
2-[5-[1,1-bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl]-2-hydroxy-3-(2-oxoethyl)phenyl]acetaldehyde
CID 137470495
4-[2-[4-[2-hydroxy-3-[4-[9-[4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenol
CID 70949053
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
4-[2-(3,5-diethyl-4-hydroxyphenyl)propan-2-yl]-2,6-diethylphenol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol
CID 67945373

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COCc1cc(C(C)(C)C)cc(COC)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.
What is the InChIKey of 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?
The InChIKey is ZWZGDYSBMBMHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H52O9.C31H30O4.C14H22O3/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;1-19-13-23(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;1-14(2,3)12-6-10(8-16-4)13(15)11(7-12)9-17-5/h10-19,42-44H,20-25H2,1-9H3;5-16,32-33H,17-18H2,1-4H3;6-7,15H,8-9H2,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 1393.76 g/mol, XLogP of 16.72, 27 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162243224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).