2,3,5,6-tetramethyl-4-[1,2,2-tris(4-hydroxy-2,3,5,6-tetramethylphenyl)ethyl]phenol

C42H54O4 — CID 153325034

IUPAC2,3,5,6-tetramethyl-4-[1,2,2-tris(4-hydroxy-2,3,5,6-tetramethylphenyl)ethyl]phenol
SMILESCc1c(C)c(C(c2c(C)c(C)c(O)c(C)c2C)C(c2c(C)c(C)c(O)c(C)c2C)c2c(C)c(C)c(O)c(C)c2C)c(C)c(C)c1O
InChIInChI=1S/C42H54O4/c1-17-25(9)39(43)26(10)18(2)33(17)37(34-19(3)27(11)40(44)28(12)20(34)4)38(35-21(5)29(13)41(45)30(14)22(35)6)36-23(7)31(15)42(46)32(16)24(36)8/h37-38,43-46H,1-16H3
InChIKeyVXBUYRNHECEEPE-UHFFFAOYSA-N
MW622.89 g/mol
LogP10.41
Rot. Bonds5

About 2,3,5,6-tetramethyl-4-[1,2,2-tris(4-hydroxy-2,3,5,6-tetramethylphenyl)ethyl]phenol

2,3,5,6-tetramethyl-4-[1,2,2-tris(4-hydroxy-2,3,5,6-tetramethylphenyl)ethyl]phenol (PubChem CID 153325034) has the molecular formula C42H54O4 and a molecular weight of 622.89 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-4-[1,2,2-tris(4-hydroxy-2,3,5,6-tetramethylphenyl)ethyl]phenol.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-4-[1,2,2-tris(4-hydroxy-2,3,5,6-tetramethylphenyl)ethyl]phenol
PubChem CID153325034
Molecular FormulaC42H54O4
Molecular Weight622.89 g/mol
Exact Mass622.40
IUPAC Name2,3,5,6-tetramethyl-4-[1,2,2-tris(4-hydroxy-2,3,5,6-tetramethylphenyl)ethyl]phenol
SMILESCc1c(C)c(C(c2c(C)c(C)c(O)c(C)c2C)C(c2c(C)c(C)c(O)c(C)c2C)c2c(C)c(C)c(O)c(C)c2C)c(C)c(C)c1O
InChIInChI=1S/C42H54O4/c1-17-25(9)39(43)26(10)18(2)33(17)37(34-19(3)27(11)40(44)28(12)20(34)4)38(35-21(5)29(13)41(45)30(14)22(35)6)36-23(7)31(15)42(46)32(16)24(36)8/h37-38,43-46H,1-16H3
InChIKeyVXBUYRNHECEEPE-UHFFFAOYSA-N
XLogP10.41
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.89
LogP ≤ 510.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethyl-4-[1,2,2-tris(4-hydroxy-2,3,5,6-tetramethylphenyl)ethyl]phenol?
The IUPAC name of 2,3,5,6-tetramethyl-4-[1,2,2-tris(4-hydroxy-2,3,5,6-tetramethylphenyl)ethyl]phenol (CID 153325034) is 2,3,5,6-tetramethyl-4-[1,2,2-tris(4-hydroxy-2,3,5,6-tetramethylphenyl)ethyl]phenol.
What is the SMILES notation for 2,3,5,6-tetramethyl-4-[1,2,2-tris(4-hydroxy-2,3,5,6-tetramethylphenyl)ethyl]phenol?
The canonical SMILES for 2,3,5,6-tetramethyl-4-[1,2,2-tris(4-hydroxy-2,3,5,6-tetramethylphenyl)ethyl]phenol is Cc1c(C)c(C(c2c(C)c(C)c(O)c(C)c2C)C(c2c(C)c(C)c(O)c(C)c2C)c2c(C)c(C)c(O)c(C)c2C)c(C)c(C)c1O.
What is the InChIKey of 2,3,5,6-tetramethyl-4-[1,2,2-tris(4-hydroxy-2,3,5,6-tetramethylphenyl)ethyl]phenol?
The InChIKey is VXBUYRNHECEEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H54O4/c1-17-25(9)39(43)26(10)18(2)33(17)37(34-19(3)27(11)40(44)28(12)20(34)4)38(35-21(5)29(13)41(45)30(14)22(35)6)36-23(7)31(15)42(46)32(16)24(36)8/h37-38,43-46H,1-16H3.
What are the key properties of 2,3,5,6-tetramethyl-4-[1,2,2-tris(4-hydroxy-2,3,5,6-tetramethylphenyl)ethyl]phenol?
2,3,5,6-tetramethyl-4-[1,2,2-tris(4-hydroxy-2,3,5,6-tetramethylphenyl)ethyl]phenol has a molecular weight of 622.89 g/mol, XLogP of 10.41, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethyl-4-[1,2,2-tris(4-hydroxy-2,3,5,6-tetramethylphenyl)ethyl]phenol is sourced from PubChem (CID 153325034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).