4-[[3-[bis(4-hydroxy-2,3,5-trimethylphenyl)methyl]-5-[[4-(1-cyclohexyloxyethoxy)-2,3,5-trimethylphenyl]-(4-hydroxy-2,3,5-trimethylphenyl)methyl]phenyl]-(4-hydroxy-2,3,5-trimethylphenyl)methyl]-2,3,6-trimethylphenol

C71H86O7 — CID 58332436

IUPAC4-[[3-[bis(4-hydroxy-2,3,5-trimethylphenyl)methyl]-5-[[4-(1-cyclohexyloxyethoxy)-2,3,5-trimethylphenyl]-(4-hydroxy-2,3,5-trimethylphenyl)methyl]phenyl]-(4-hydroxy-2,3,5-trimethylphenyl)methyl]-2,3,6-trimethylphenol
SMILESCc1cc(C(c2cc(C(c3cc(C)c(O)c(C)c3C)c3cc(C)c(O)c(C)c3C)cc(C(c3cc(C)c(O)c(C)c3C)c3cc(C)c(OC(C)OC4CCCCC4)c(C)c3C)c2)c2cc(C)c(O)c(C)c2C)c(C)c(C)c1O
InChIInChI=1S/C71H86O7/c1-34-25-57(40(7)46(13)66(34)72)63(58-26-35(2)67(73)47(14)41(58)8)53-31-54(64(59-27-36(3)68(74)48(15)42(59)9)60-28-37(4)69(75)49(16)43(60)10)33-55(32-53)65(61-29-38(5)70(76)50(17)44(61)11)62-30-39(6)71(51(18)45(62)12)78-52(19)77-56-23-21-20-22-24-56/h25-33,52,56,63-65,72-76H,20-24H2,1-19H3
InChIKeyGRFOFNHDIAQFNG-UHFFFAOYSA-N
MW1051.46 g/mol
LogP17.38
Rot. Bonds13

About 4-[[3-[bis(4-hydroxy-2,3,5-trimethylphenyl)methyl]-5-[[4-(1-cyclohexyloxyethoxy)-2,3,5-trimethylphenyl]-(4-hydroxy-2,3,5-trimethylphenyl)methyl]phenyl]-(4-hydroxy-2,3,5-trimethylphenyl)methyl]-2,3,6-trimethylphenol

4-[[3-[bis(4-hydroxy-2,3,5-trimethylphenyl)methyl]-5-[[4-(1-cyclohexyloxyethoxy)-2,3,5-trimethylphenyl]-(4-hydroxy-2,3,5-trimethylphenyl)methyl]phenyl]-(4-hydroxy-2,3,5-trimethylphenyl)methyl]-2,3,6-trimethylphenol (PubChem CID 58332436) has the molecular formula C71H86O7 and a molecular weight of 1051.46 g/mol. Its IUPAC name is 4-[[3-[bis(4-hydroxy-2,3,5-trimethylphenyl)methyl]-5-[[4-(1-cyclohexyloxyethoxy)-2,3,5-trimethylphenyl]-(4-hydroxy-2,3,5-trimethylphenyl)methyl]phenyl]-(4-hydroxy-2,3,5-trimethylphenyl)methyl]-2,3,6-trimethylphenol.

Molecular Properties

Compound Name4-[[3-[bis(4-hydroxy-2,3,5-trimethylphenyl)methyl]-5-[[4-(1-cyclohexyloxyethoxy)-2,3,5-trimethylphenyl]-(4-hydroxy-2,3,5-trimethylphenyl)methyl]phenyl]-(4-hydroxy-2,3,5-trimethylphenyl)methyl]-2,3,6-trimethylphenol
PubChem CID58332436
Molecular FormulaC71H86O7
Molecular Weight1051.46 g/mol
Exact Mass1050.64
IUPAC Name4-[[3-[bis(4-hydroxy-2,3,5-trimethylphenyl)methyl]-5-[[4-(1-cyclohexyloxyethoxy)-2,3,5-trimethylphenyl]-(4-hydroxy-2,3,5-trimethylphenyl)methyl]phenyl]-(4-hydroxy-2,3,5-trimethylphenyl)methyl]-2,3,6-trimethylphenol
SMILESCc1cc(C(c2cc(C(c3cc(C)c(O)c(C)c3C)c3cc(C)c(O)c(C)c3C)cc(C(c3cc(C)c(O)c(C)c3C)c3cc(C)c(OC(C)OC4CCCCC4)c(C)c3C)c2)c2cc(C)c(O)c(C)c2C)c(C)c(C)c1O
InChIInChI=1S/C71H86O7/c1-34-25-57(40(7)46(13)66(34)72)63(58-26-35(2)67(73)47(14)41(58)8)53-31-54(64(59-27-36(3)68(74)48(15)42(59)9)60-28-37(4)69(75)49(16)43(60)10)33-55(32-53)65(61-29-38(5)70(76)50(17)44(61)11)62-30-39(6)71(51(18)45(62)12)78-52(19)77-56-23-21-20-22-24-56/h25-33,52,56,63-65,72-76H,20-24H2,1-19H3
InChIKeyGRFOFNHDIAQFNG-UHFFFAOYSA-N
XLogP17.38
TPSA119.61 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001051.46
LogP ≤ 517.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[[3-[bis(4-hydroxy-2,3,5-trimethylphenyl)methyl]-5-[[4-(1-cyclohexyloxyethoxy)-2,3,5-trimethylphenyl]-(4-hydroxy-2,3,5-trimethylphenyl)methyl]phenyl]-(4-hydroxy-2,3,5-trimethylphenyl)methyl]-2,3,6-trimethylphenol with MolForge

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Related Compounds

4-[[4-(1-cyclohexyloxyethoxy)-2,3,5-trimethylphenyl]-[7-[[4-(1-cyclohexyloxyethoxy)-2,3,5-trimethylphenyl]-(4-hydroxy-2,3,5-trimethylphenyl)methyl]naphthalen-2-yl]methyl]-2,3,6-trimethylphenol
CID 89349013
4-[bis(5-cyclohexyl-4-hydroxy-2-methylphenyl)methyl]benzene-1,2-diol;4-[bis(4-hydroxy-2,3,5-trimethylphenyl)methyl]benzene-1,2-diol
CID 157123763
4-[(4-hydroxy-2,3,5-trimethylphenyl)-naphthalen-1-ylmethyl]-2,3,6-trimethylphenol
CID 59746015
tert-butyl 2-[4-[[7-[bis(4-hydroxy-2,3,5-trimethylphenyl)methyl]naphthalen-2-yl]-(4-hydroxy-2,3,5-trimethylphenyl)methyl]-2,3,6-trimethylphenoxy]acetate
CID 89349016
1-(1-cyclohexyloxyethoxy)-4-[2-[4-(1-cyclohexyloxyethoxy)phenyl]propan-2-yl]benzene
CID 22726294
1-propan-2-yloxyethoxycycloundecane
CID 21496393
1-(1-cyclohexyloxyethoxy)-4-ethenylbenzene
CID 22057357
2,6-dicyclohexyl-3-methyl-5-propan-2-ylphenol
CID 3022568
3-(aminomethyl)-4-cyclohexyl-2,6-dimethylphenol
CID 154316033
1-[4-(1-cyclohexylethoxy)-3,5-dimethylphenyl]-3-(4-hydroxy-3,5-dimethylphenyl)prop-2-en-1-one
CID 69055040
cyclohexyloxy(1-methoxyethoxy)methanol
CID 155312162
1-cyclohexyloxyethyl acetate
CID 58944366

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[bis(4-hydroxy-2,3,5-trimethylphenyl)methyl]-5-[[4-(1-cyclohexyloxyethoxy)-2,3,5-trimethylphenyl]-(4-hydroxy-2,3,5-trimethylphenyl)methyl]phenyl]-(4-hydroxy-2,3,5-trimethylphenyl)methyl]-2,3,6-trimethylphenol?
The IUPAC name of 4-[[3-[bis(4-hydroxy-2,3,5-trimethylphenyl)methyl]-5-[[4-(1-cyclohexyloxyethoxy)-2,3,5-trimethylphenyl]-(4-hydroxy-2,3,5-trimethylphenyl)methyl]phenyl]-(4-hydroxy-2,3,5-trimethylphenyl)methyl]-2,3,6-trimethylphenol (CID 58332436) is 4-[[3-[bis(4-hydroxy-2,3,5-trimethylphenyl)methyl]-5-[[4-(1-cyclohexyloxyethoxy)-2,3,5-trimethylphenyl]-(4-hydroxy-2,3,5-trimethylphenyl)methyl]phenyl]-(4-hydroxy-2,3,5-trimethylphenyl)methyl]-2,3,6-trimethylphenol.
What is the SMILES notation for 4-[[3-[bis(4-hydroxy-2,3,5-trimethylphenyl)methyl]-5-[[4-(1-cyclohexyloxyethoxy)-2,3,5-trimethylphenyl]-(4-hydroxy-2,3,5-trimethylphenyl)methyl]phenyl]-(4-hydroxy-2,3,5-trimethylphenyl)methyl]-2,3,6-trimethylphenol?
The canonical SMILES for 4-[[3-[bis(4-hydroxy-2,3,5-trimethylphenyl)methyl]-5-[[4-(1-cyclohexyloxyethoxy)-2,3,5-trimethylphenyl]-(4-hydroxy-2,3,5-trimethylphenyl)methyl]phenyl]-(4-hydroxy-2,3,5-trimethylphenyl)methyl]-2,3,6-trimethylphenol is Cc1cc(C(c2cc(C(c3cc(C)c(O)c(C)c3C)c3cc(C)c(O)c(C)c3C)cc(C(c3cc(C)c(O)c(C)c3C)c3cc(C)c(OC(C)OC4CCCCC4)c(C)c3C)c2)c2cc(C)c(O)c(C)c2C)c(C)c(C)c1O.
What is the InChIKey of 4-[[3-[bis(4-hydroxy-2,3,5-trimethylphenyl)methyl]-5-[[4-(1-cyclohexyloxyethoxy)-2,3,5-trimethylphenyl]-(4-hydroxy-2,3,5-trimethylphenyl)methyl]phenyl]-(4-hydroxy-2,3,5-trimethylphenyl)methyl]-2,3,6-trimethylphenol?
The InChIKey is GRFOFNHDIAQFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H86O7/c1-34-25-57(40(7)46(13)66(34)72)63(58-26-35(2)67(73)47(14)41(58)8)53-31-54(64(59-27-36(3)68(74)48(15)42(59)9)60-28-37(4)69(75)49(16)43(60)10)33-55(32-53)65(61-29-38(5)70(76)50(17)44(61)11)62-30-39(6)71(51(18)45(62)12)78-52(19)77-56-23-21-20-22-24-56/h25-33,52,56,63-65,72-76H,20-24H2,1-19H3.
What are the key properties of 4-[[3-[bis(4-hydroxy-2,3,5-trimethylphenyl)methyl]-5-[[4-(1-cyclohexyloxyethoxy)-2,3,5-trimethylphenyl]-(4-hydroxy-2,3,5-trimethylphenyl)methyl]phenyl]-(4-hydroxy-2,3,5-trimethylphenyl)methyl]-2,3,6-trimethylphenol?
4-[[3-[bis(4-hydroxy-2,3,5-trimethylphenyl)methyl]-5-[[4-(1-cyclohexyloxyethoxy)-2,3,5-trimethylphenyl]-(4-hydroxy-2,3,5-trimethylphenyl)methyl]phenyl]-(4-hydroxy-2,3,5-trimethylphenyl)methyl]-2,3,6-trimethylphenol has a molecular weight of 1051.46 g/mol, XLogP of 17.38, 13 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[bis(4-hydroxy-2,3,5-trimethylphenyl)methyl]-5-[[4-(1-cyclohexyloxyethoxy)-2,3,5-trimethylphenyl]-(4-hydroxy-2,3,5-trimethylphenyl)methyl]phenyl]-(4-hydroxy-2,3,5-trimethylphenyl)methyl]-2,3,6-trimethylphenol is sourced from PubChem (CID 58332436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).