4-[1-[3,5-bis[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]-1-(4-hydroxyphenyl)ethyl]phenol;4-[bis(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol;phenol

C115H118O15 — CID 161231317

IUPAC4-[1-[3,5-bis[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]-1-(4-hydroxyphenyl)ethyl]phenol;4-[bis(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol;phenol
SMILESCC(c1ccc(O)cc1)(c1ccc(O)cc1)c1cc(C(C)(c2ccc(O)cc2)c2ccc(O)cc2)cc(C(C)(c2ccc(O)cc2)c2ccc(O)cc2)c1.CCc1cc(C(c2cc(CC)c(O)c(CC)c2)c2cc(CC)c(O)c(CC)c2)cc(CC)c1O.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/C48H42O6.C31H40O3.6C6H6O/c1-46(31-4-16-40(49)17-5-31,32-6-18-41(50)19-7-32)37-28-38(47(2,33-8-20-42(51)21-9-33)34-10-22-43(52)23-11-34)30-39(29-37)48(3,35-12-24-44(53)25-13-35)36-14-26-45(54)27-15-36;1-7-19-13-25(14-20(8-2)29(19)32)28(26-15-21(9-3)30(33)22(10-4)16-26)27-17-23(11-5)31(34)24(12-6)18-27;6*7-6-4-2-1-3-5-6/h4-30,49-54H,1-3H3;13-18,28,32-34H,7-12H2,1-6H3;6*1-5,7H
InChIKeyUYUCADITAMMTRZ-UHFFFAOYSA-N
MW1740.19 g/mol
LogP25.69
Rot. Bonds18

About 4-[1-[3,5-bis[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]-1-(4-hydroxyphenyl)ethyl]phenol;4-[bis(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol;phenol

4-[1-[3,5-bis[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]-1-(4-hydroxyphenyl)ethyl]phenol;4-[bis(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol;phenol (PubChem CID 161231317) has the molecular formula C115H118O15 and a molecular weight of 1740.19 g/mol. Its IUPAC name is 4-[1-[3,5-bis[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]-1-(4-hydroxyphenyl)ethyl]phenol;4-[bis(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol;phenol.

Molecular Properties

Compound Name4-[1-[3,5-bis[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]-1-(4-hydroxyphenyl)ethyl]phenol;4-[bis(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol;phenol
PubChem CID161231317
Molecular FormulaC115H118O15
Molecular Weight1740.19 g/mol
Exact Mass1738.85
IUPAC Name4-[1-[3,5-bis[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]-1-(4-hydroxyphenyl)ethyl]phenol;4-[bis(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol;phenol
SMILESCC(c1ccc(O)cc1)(c1ccc(O)cc1)c1cc(C(C)(c2ccc(O)cc2)c2ccc(O)cc2)cc(C(C)(c2ccc(O)cc2)c2ccc(O)cc2)c1.CCc1cc(C(c2cc(CC)c(O)c(CC)c2)c2cc(CC)c(O)c(CC)c2)cc(CC)c1O.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/C48H42O6.C31H40O3.6C6H6O/c1-46(31-4-16-40(49)17-5-31,32-6-18-41(50)19-7-32)37-28-38(47(2,33-8-20-42(51)21-9-33)34-10-22-43(52)23-11-34)30-39(29-37)48(3,35-12-24-44(53)25-13-35)36-14-26-45(54)27-15-36;1-7-19-13-25(14-20(8-2)29(19)32)28(26-15-21(9-3)30(33)22(10-4)16-26)27-17-23(11-5)31(34)24(12-6)18-27;6*7-6-4-2-1-3-5-6/h4-30,49-54H,1-3H3;13-18,28,32-34H,7-12H2,1-6H3;6*1-5,7H
InChIKeyUYUCADITAMMTRZ-UHFFFAOYSA-N
XLogP25.69
TPSA303.45 Ų
H-Bond Donors15
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001740.19
LogP ≤ 525.69
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-[bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]phenyl]-(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol
CID 118593439
4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol;4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;4-[bis(4-hydroxyphenyl)methyl]phenol
CID 159558914
4-[2-[3,5-bis[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;phenol
CID 160835894
1,3-bis(2-methylbutan-2-yl)benzene;phenol
CID 175328016
4-[1,1-bis[3,5-bis(ethoxymethyl)-4-hydroxyphenyl]ethyl]-2-(ethoxymethyl)-6-ethylphenol
CID 59541081
[4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenyl]oxidanium
CID 144946665
[4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenyl] 2-methylpropanoate
CID 89217434
formaldehyde;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;phenol
CID 67560880
phenol;4-(2,3,3-trimethylpentan-2-yl)phenol
CID 66744963
4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol
CID 634278
4-[1-(4-hydroxyphenyl)-1-[4-[3-(4-hydroxyphenyl)hexan-3-yl]phenyl]ethyl]phenol
CID 139838357
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

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3,5-bis[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]-1-(4-hydroxyphenyl)ethyl]phenol;4-[bis(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol;phenol?
The IUPAC name of 4-[1-[3,5-bis[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]-1-(4-hydroxyphenyl)ethyl]phenol;4-[bis(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol;phenol (CID 161231317) is 4-[1-[3,5-bis[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]-1-(4-hydroxyphenyl)ethyl]phenol;4-[bis(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol;phenol.
What is the SMILES notation for 4-[1-[3,5-bis[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]-1-(4-hydroxyphenyl)ethyl]phenol;4-[bis(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol;phenol?
The canonical SMILES for 4-[1-[3,5-bis[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]-1-(4-hydroxyphenyl)ethyl]phenol;4-[bis(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol;phenol is CC(c1ccc(O)cc1)(c1ccc(O)cc1)c1cc(C(C)(c2ccc(O)cc2)c2ccc(O)cc2)cc(C(C)(c2ccc(O)cc2)c2ccc(O)cc2)c1.CCc1cc(C(c2cc(CC)c(O)c(CC)c2)c2cc(CC)c(O)c(CC)c2)cc(CC)c1O.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.
What is the InChIKey of 4-[1-[3,5-bis[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]-1-(4-hydroxyphenyl)ethyl]phenol;4-[bis(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol;phenol?
The InChIKey is UYUCADITAMMTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H42O6.C31H40O3.6C6H6O/c1-46(31-4-16-40(49)17-5-31,32-6-18-41(50)19-7-32)37-28-38(47(2,33-8-20-42(51)21-9-33)34-10-22-43(52)23-11-34)30-39(29-37)48(3,35-12-24-44(53)25-13-35)36-14-26-45(54)27-15-36;1-7-19-13-25(14-20(8-2)29(19)32)28(26-15-21(9-3)30(33)22(10-4)16-26)27-17-23(11-5)31(34)24(12-6)18-27;6*7-6-4-2-1-3-5-6/h4-30,49-54H,1-3H3;13-18,28,32-34H,7-12H2,1-6H3;6*1-5,7H.
What are the key properties of 4-[1-[3,5-bis[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]-1-(4-hydroxyphenyl)ethyl]phenol;4-[bis(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol;phenol?
4-[1-[3,5-bis[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]-1-(4-hydroxyphenyl)ethyl]phenol;4-[bis(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol;phenol has a molecular weight of 1740.19 g/mol, XLogP of 25.69, 18 rotatable bonds, 15 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3,5-bis[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]-1-(4-hydroxyphenyl)ethyl]phenol;4-[bis(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol;phenol is sourced from PubChem (CID 161231317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).