4-[[4-[bis(4-hydroxy-2,5-dimethylphenyl)methyl]phenyl]-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol;2,6-dimethyl-4-[1,4,4-tris(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]phenol;2,6-dimethyl-4-[1,2,2-tris(4-hydroxy-3,5-dimethylphenyl)ethyl]phenol;methane;4-[2,5,5-tris(4-hydroxyphenyl)-1,3,3a,4,6,6a-hexahydropentalen-2-yl]phenol

C145H158O16 — CID 160930858

IUPAC4-[[4-[bis(4-hydroxy-2,5-dimethylphenyl)methyl]phenyl]-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol;2,6-dimethyl-4-[1,4,4-tris(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]phenol;2,6-dimethyl-4-[1,2,2-tris(4-hydroxy-3,5-dimethylphenyl)ethyl]phenol;methane;4-[2,5,5-tris(4-hydroxyphenyl)-1,3,3a,4,6,6a-hexahydropentalen-2-yl]phenol
SMILESC.Cc1cc(C(c2cc(C)c(O)c(C)c2)C(c2cc(C)c(O)c(C)c2)c2cc(C)c(O)c(C)c2)cc(C)c1O.Cc1cc(C(c2ccc(C(c3cc(C)c(O)cc3C)c3cc(C)c(O)cc3C)cc2)c2cc(C)c(O)cc2C)c(C)cc1O.Cc1cc(C2(c3cc(C)c(O)c(C)c3)CCC(c3cc(C)c(O)c(C)c3)(c3cc(C)c(O)c(C)c3)CC2)cc(C)c1O.Oc1ccc(C2(c3ccc(O)cc3)CC3CC(c4ccc(O)cc4)(c4ccc(O)cc4)CC3C2)cc1
InChIInChI=1S/C40H42O4.C38H44O4.C34H38O4.C32H30O4.CH4/c1-21-17-35(41)25(5)13-31(21)39(32-14-26(6)36(42)18-22(32)2)29-9-11-30(12-10-29)40(33-15-27(7)37(43)19-23(33)3)34-16-28(8)38(44)20-24(34)4;1-21-13-29(14-22(2)33(21)39)37(30-15-23(3)34(40)24(4)16-30)9-11-38(12-10-37,31-17-25(5)35(41)26(6)18-31)32-19-27(7)36(42)28(8)20-32;1-17-9-25(10-18(2)31(17)35)29(26-11-19(3)32(36)20(4)12-26)30(27-13-21(5)33(37)22(6)14-27)28-15-23(7)34(38)24(8)16-28;33-27-9-1-23(2-10-27)31(24-3-11-28(34)12-4-24)17-21-19-32(20-22(21)18-31,25-5-13-29(35)14-6-25)26-7-15-30(36)16-8-26;/h9-20,39-44H,1-8H3;13-20,39-42H,9-12H2,1-8H3;9-16,29-30,35-38H,1-8H3;1-16,21-22,33-36H,17-20H2;1H4
InChIKeySTGBNPWTBZDGJP-UHFFFAOYSA-N
MW2156.84 g/mol
LogP33.34
Rot. Bonds19

About 4-[[4-[bis(4-hydroxy-2,5-dimethylphenyl)methyl]phenyl]-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol;2,6-dimethyl-4-[1,4,4-tris(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]phenol;2,6-dimethyl-4-[1,2,2-tris(4-hydroxy-3,5-dimethylphenyl)ethyl]phenol;methane;4-[2,5,5-tris(4-hydroxyphenyl)-1,3,3a,4,6,6a-hexahydropentalen-2-yl]phenol

4-[[4-[bis(4-hydroxy-2,5-dimethylphenyl)methyl]phenyl]-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol;2,6-dimethyl-4-[1,4,4-tris(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]phenol;2,6-dimethyl-4-[1,2,2-tris(4-hydroxy-3,5-dimethylphenyl)ethyl]phenol;methane;4-[2,5,5-tris(4-hydroxyphenyl)-1,3,3a,4,6,6a-hexahydropentalen-2-yl]phenol (PubChem CID 160930858) has the molecular formula C145H158O16 and a molecular weight of 2156.84 g/mol. Its IUPAC name is 4-[[4-[bis(4-hydroxy-2,5-dimethylphenyl)methyl]phenyl]-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol;2,6-dimethyl-4-[1,4,4-tris(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]phenol;2,6-dimethyl-4-[1,2,2-tris(4-hydroxy-3,5-dimethylphenyl)ethyl]phenol;methane;4-[2,5,5-tris(4-hydroxyphenyl)-1,3,3a,4,6,6a-hexahydropentalen-2-yl]phenol.

Molecular Properties

Compound Name4-[[4-[bis(4-hydroxy-2,5-dimethylphenyl)methyl]phenyl]-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol;2,6-dimethyl-4-[1,4,4-tris(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]phenol;2,6-dimethyl-4-[1,2,2-tris(4-hydroxy-3,5-dimethylphenyl)ethyl]phenol;methane;4-[2,5,5-tris(4-hydroxyphenyl)-1,3,3a,4,6,6a-hexahydropentalen-2-yl]phenol
PubChem CID160930858
Molecular FormulaC145H158O16
Molecular Weight2156.84 g/mol
Exact Mass2155.15
IUPAC Name4-[[4-[bis(4-hydroxy-2,5-dimethylphenyl)methyl]phenyl]-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol;2,6-dimethyl-4-[1,4,4-tris(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]phenol;2,6-dimethyl-4-[1,2,2-tris(4-hydroxy-3,5-dimethylphenyl)ethyl]phenol;methane;4-[2,5,5-tris(4-hydroxyphenyl)-1,3,3a,4,6,6a-hexahydropentalen-2-yl]phenol
SMILESC.Cc1cc(C(c2cc(C)c(O)c(C)c2)C(c2cc(C)c(O)c(C)c2)c2cc(C)c(O)c(C)c2)cc(C)c1O.Cc1cc(C(c2ccc(C(c3cc(C)c(O)cc3C)c3cc(C)c(O)cc3C)cc2)c2cc(C)c(O)cc2C)c(C)cc1O.Cc1cc(C2(c3cc(C)c(O)c(C)c3)CCC(c3cc(C)c(O)c(C)c3)(c3cc(C)c(O)c(C)c3)CC2)cc(C)c1O.Oc1ccc(C2(c3ccc(O)cc3)CC3CC(c4ccc(O)cc4)(c4ccc(O)cc4)CC3C2)cc1
InChIInChI=1S/C40H42O4.C38H44O4.C34H38O4.C32H30O4.CH4/c1-21-17-35(41)25(5)13-31(21)39(32-14-26(6)36(42)18-22(32)2)29-9-11-30(12-10-29)40(33-15-27(7)37(43)19-23(33)3)34-16-28(8)38(44)20-24(34)4;1-21-13-29(14-22(2)33(21)39)37(30-15-23(3)34(40)24(4)16-30)9-11-38(12-10-37,31-17-25(5)35(41)26(6)18-31)32-19-27(7)36(42)28(8)20-32;1-17-9-25(10-18(2)31(17)35)29(26-11-19(3)32(36)20(4)12-26)30(27-13-21(5)33(37)22(6)14-27)28-15-23(7)34(38)24(8)16-28;33-27-9-1-23(2-10-27)31(24-3-11-28(34)12-4-24)17-21-19-32(20-22(21)18-31,25-5-13-29(35)14-6-25)26-7-15-30(36)16-8-26;/h9-20,39-44H,1-8H3;13-20,39-42H,9-12H2,1-8H3;9-16,29-30,35-38H,1-8H3;1-16,21-22,33-36H,17-20H2;1H4
InChIKeySTGBNPWTBZDGJP-UHFFFAOYSA-N
XLogP33.34
TPSA323.68 Ų
H-Bond Donors16
H-Bond Acceptors16
Rotatable Bonds19
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002156.84
LogP ≤ 533.34
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 4-[[4-[bis(4-hydroxy-2,5-dimethylphenyl)methyl]phenyl]-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol;2,6-dimethyl-4-[1,4,4-tris(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]phenol;2,6-dimethyl-4-[1,2,2-tris(4-hydroxy-3,5-dimethylphenyl)ethyl]phenol;methane;4-[2,5,5-tris(4-hydroxyphenyl)-1,3,3a,4,6,6a-hexahydropentalen-2-yl]phenol with MolForge

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Related Compounds

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Phenol, 4,4',4''-(1-methyl-1-propanyl-3-ylidene)tris[2-cyclohexyl-5-methyl-
CID 14228559
6,6'-Dihydroxy-5,5'dimethyl22'33'tetrahydro333'3'tetramethyl11'spirobi(1hindene)
CID 478336
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CID 137628547
Tris(5-tert-butyl-4-hydroxy-o-tolyl)butane
CID 3015792
Tris(1-(methylphenyl)ethyl)phenol
CID 3019354
(8R,9S,13S,14S,17R)-13-methyl-17-(naphthalen-2-ylmethyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
CID 10669382
(8R,9S,13S,14S,17R)-13-methyl-17-(naphthalen-1-ylmethyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
CID 53325061
(8R,9S,13S,14S,17R)-13-methyl-17-[(4-phenylphenyl)methyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
CID 57400334

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[bis(4-hydroxy-2,5-dimethylphenyl)methyl]phenyl]-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol;2,6-dimethyl-4-[1,4,4-tris(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]phenol;2,6-dimethyl-4-[1,2,2-tris(4-hydroxy-3,5-dimethylphenyl)ethyl]phenol;methane;4-[2,5,5-tris(4-hydroxyphenyl)-1,3,3a,4,6,6a-hexahydropentalen-2-yl]phenol?
The IUPAC name of 4-[[4-[bis(4-hydroxy-2,5-dimethylphenyl)methyl]phenyl]-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol;2,6-dimethyl-4-[1,4,4-tris(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]phenol;2,6-dimethyl-4-[1,2,2-tris(4-hydroxy-3,5-dimethylphenyl)ethyl]phenol;methane;4-[2,5,5-tris(4-hydroxyphenyl)-1,3,3a,4,6,6a-hexahydropentalen-2-yl]phenol (CID 160930858) is 4-[[4-[bis(4-hydroxy-2,5-dimethylphenyl)methyl]phenyl]-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol;2,6-dimethyl-4-[1,4,4-tris(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]phenol;2,6-dimethyl-4-[1,2,2-tris(4-hydroxy-3,5-dimethylphenyl)ethyl]phenol;methane;4-[2,5,5-tris(4-hydroxyphenyl)-1,3,3a,4,6,6a-hexahydropentalen-2-yl]phenol.
What is the SMILES notation for 4-[[4-[bis(4-hydroxy-2,5-dimethylphenyl)methyl]phenyl]-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol;2,6-dimethyl-4-[1,4,4-tris(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]phenol;2,6-dimethyl-4-[1,2,2-tris(4-hydroxy-3,5-dimethylphenyl)ethyl]phenol;methane;4-[2,5,5-tris(4-hydroxyphenyl)-1,3,3a,4,6,6a-hexahydropentalen-2-yl]phenol?
The canonical SMILES for 4-[[4-[bis(4-hydroxy-2,5-dimethylphenyl)methyl]phenyl]-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol;2,6-dimethyl-4-[1,4,4-tris(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]phenol;2,6-dimethyl-4-[1,2,2-tris(4-hydroxy-3,5-dimethylphenyl)ethyl]phenol;methane;4-[2,5,5-tris(4-hydroxyphenyl)-1,3,3a,4,6,6a-hexahydropentalen-2-yl]phenol is C.Cc1cc(C(c2cc(C)c(O)c(C)c2)C(c2cc(C)c(O)c(C)c2)c2cc(C)c(O)c(C)c2)cc(C)c1O.Cc1cc(C(c2ccc(C(c3cc(C)c(O)cc3C)c3cc(C)c(O)cc3C)cc2)c2cc(C)c(O)cc2C)c(C)cc1O.Cc1cc(C2(c3cc(C)c(O)c(C)c3)CCC(c3cc(C)c(O)c(C)c3)(c3cc(C)c(O)c(C)c3)CC2)cc(C)c1O.Oc1ccc(C2(c3ccc(O)cc3)CC3CC(c4ccc(O)cc4)(c4ccc(O)cc4)CC3C2)cc1.
What is the InChIKey of 4-[[4-[bis(4-hydroxy-2,5-dimethylphenyl)methyl]phenyl]-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol;2,6-dimethyl-4-[1,4,4-tris(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]phenol;2,6-dimethyl-4-[1,2,2-tris(4-hydroxy-3,5-dimethylphenyl)ethyl]phenol;methane;4-[2,5,5-tris(4-hydroxyphenyl)-1,3,3a,4,6,6a-hexahydropentalen-2-yl]phenol?
The InChIKey is STGBNPWTBZDGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H42O4.C38H44O4.C34H38O4.C32H30O4.CH4/c1-21-17-35(41)25(5)13-31(21)39(32-14-26(6)36(42)18-22(32)2)29-9-11-30(12-10-29)40(33-15-27(7)37(43)19-23(33)3)34-16-28(8)38(44)20-24(34)4;1-21-13-29(14-22(2)33(21)39)37(30-15-23(3)34(40)24(4)16-30)9-11-38(12-10-37,31-17-25(5)35(41)26(6)18-31)32-19-27(7)36(42)28(8)20-32;1-17-9-25(10-18(2)31(17)35)29(26-11-19(3)32(36)20(4)12-26)30(27-13-21(5)33(37)22(6)14-27)28-15-23(7)34(38)24(8)16-28;33-27-9-1-23(2-10-27)31(24-3-11-28(34)12-4-24)17-21-19-32(20-22(21)18-31,25-5-13-29(35)14-6-25)26-7-15-30(36)16-8-26;/h9-20,39-44H,1-8H3;13-20,39-42H,9-12H2,1-8H3;9-16,29-30,35-38H,1-8H3;1-16,21-22,33-36H,17-20H2;1H4.
What are the key properties of 4-[[4-[bis(4-hydroxy-2,5-dimethylphenyl)methyl]phenyl]-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol;2,6-dimethyl-4-[1,4,4-tris(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]phenol;2,6-dimethyl-4-[1,2,2-tris(4-hydroxy-3,5-dimethylphenyl)ethyl]phenol;methane;4-[2,5,5-tris(4-hydroxyphenyl)-1,3,3a,4,6,6a-hexahydropentalen-2-yl]phenol?
4-[[4-[bis(4-hydroxy-2,5-dimethylphenyl)methyl]phenyl]-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol;2,6-dimethyl-4-[1,4,4-tris(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]phenol;2,6-dimethyl-4-[1,2,2-tris(4-hydroxy-3,5-dimethylphenyl)ethyl]phenol;methane;4-[2,5,5-tris(4-hydroxyphenyl)-1,3,3a,4,6,6a-hexahydropentalen-2-yl]phenol has a molecular weight of 2156.84 g/mol, XLogP of 33.34, 19 rotatable bonds, 16 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[bis(4-hydroxy-2,5-dimethylphenyl)methyl]phenyl]-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol;2,6-dimethyl-4-[1,4,4-tris(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]phenol;2,6-dimethyl-4-[1,2,2-tris(4-hydroxy-3,5-dimethylphenyl)ethyl]phenol;methane;4-[2,5,5-tris(4-hydroxyphenyl)-1,3,3a,4,6,6a-hexahydropentalen-2-yl]phenol is sourced from PubChem (CID 160930858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).