4-[[4-[bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]phenyl]-(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol

C48H58O8 — CID 118593439

IUPAC4-[[4-[bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]phenyl]-(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol
SMILESCCc1cc(C(c2ccc(C(c3cc(COC)c(O)c(COC)c3)c3cc(COC)c(O)c(COC)c3)cc2)c2cc(CC)c(O)c(CC)c2)cc(CC)c1O
InChIInChI=1S/C48H58O8/c1-9-29-17-35(18-30(10-2)45(29)49)43(36-19-31(11-3)46(50)32(12-4)20-36)33-13-15-34(16-14-33)44(37-21-39(25-53-5)47(51)40(22-37)26-54-6)38-23-41(27-55-7)48(52)42(24-38)28-56-8/h13-24,43-44,49-52H,9-12,25-28H2,1-8H3
InChIKeyPBYDGWIQIVIPEW-UHFFFAOYSA-N
MW762.98 g/mol
LogP9.70
Rot. Bonds18

About 4-[[4-[bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]phenyl]-(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol

4-[[4-[bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]phenyl]-(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol (PubChem CID 118593439) has the molecular formula C48H58O8 and a molecular weight of 762.98 g/mol. Its IUPAC name is 4-[[4-[bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]phenyl]-(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol.

Molecular Properties

Compound Name4-[[4-[bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]phenyl]-(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol
PubChem CID118593439
Molecular FormulaC48H58O8
Molecular Weight762.98 g/mol
Exact Mass762.41
IUPAC Name4-[[4-[bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]phenyl]-(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol
SMILESCCc1cc(C(c2ccc(C(c3cc(COC)c(O)c(COC)c3)c3cc(COC)c(O)c(COC)c3)cc2)c2cc(CC)c(O)c(CC)c2)cc(CC)c1O
InChIInChI=1S/C48H58O8/c1-9-29-17-35(18-30(10-2)45(29)49)43(36-19-31(11-3)46(50)32(12-4)20-36)33-13-15-34(16-14-33)44(37-21-39(25-53-5)47(51)40(22-37)26-54-6)38-23-41(27-55-7)48(52)42(24-38)28-56-8/h13-24,43-44,49-52H,9-12,25-28H2,1-8H3
InChIKeyPBYDGWIQIVIPEW-UHFFFAOYSA-N
XLogP9.70
TPSA117.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.98
LogP ≤ 59.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]phenyl]-(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol?
The IUPAC name of 4-[[4-[bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]phenyl]-(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol (CID 118593439) is 4-[[4-[bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]phenyl]-(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol.
What is the SMILES notation for 4-[[4-[bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]phenyl]-(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol?
The canonical SMILES for 4-[[4-[bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]phenyl]-(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol is CCc1cc(C(c2ccc(C(c3cc(COC)c(O)c(COC)c3)c3cc(COC)c(O)c(COC)c3)cc2)c2cc(CC)c(O)c(CC)c2)cc(CC)c1O.
What is the InChIKey of 4-[[4-[bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]phenyl]-(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol?
The InChIKey is PBYDGWIQIVIPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H58O8/c1-9-29-17-35(18-30(10-2)45(29)49)43(36-19-31(11-3)46(50)32(12-4)20-36)33-13-15-34(16-14-33)44(37-21-39(25-53-5)47(51)40(22-37)26-54-6)38-23-41(27-55-7)48(52)42(24-38)28-56-8/h13-24,43-44,49-52H,9-12,25-28H2,1-8H3.
What are the key properties of 4-[[4-[bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]phenyl]-(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol?
4-[[4-[bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]phenyl]-(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol has a molecular weight of 762.98 g/mol, XLogP of 9.70, 18 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]phenyl]-(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol is sourced from PubChem (CID 118593439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).