4-[2-[2-(4-hydroxy-2,3,5-trimethylphenyl)phenyl]phenyl]-2,3,6-trimethylphenol

C30H30O2 — CID 129213063

IUPAC4-[2-[2-(4-hydroxy-2,3,5-trimethylphenyl)phenyl]phenyl]-2,3,6-trimethylphenol
SMILESCc1cc(-c2ccccc2-c2ccccc2-c2cc(C)c(O)c(C)c2C)c(C)c(C)c1O
InChIInChI=1S/C30H30O2/c1-17-15-27(19(3)21(5)29(17)31)25-13-9-7-11-23(25)24-12-8-10-14-26(24)28-16-18(2)30(32)22(6)20(28)4/h7-16,31-32H,1-6H3
InChIKeyKTYHOVNYONLLGA-UHFFFAOYSA-N
MW422.57 g/mol
LogP7.95
Rot. Bonds3

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

4-[2-[2-(4-hydroxy-2,3,5-trimethylphenyl)phenyl]phenyl]-2,3,6-trimethylphenol (PubChem CID 129213063) has the molecular formula C30H30O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 4-[2-[2-(4-hydroxy-2,3,5-trimethylphenyl)phenyl]phenyl]-2,3,6-trimethylphenol.

Molecular Properties

Compound Name4-[2-[2-(4-hydroxy-2,3,5-trimethylphenyl)phenyl]phenyl]-2,3,6-trimethylphenol
PubChem CID129213063
Molecular FormulaC30H30O2
Molecular Weight422.57 g/mol
Exact Mass422.22
IUPAC Name4-[2-[2-(4-hydroxy-2,3,5-trimethylphenyl)phenyl]phenyl]-2,3,6-trimethylphenol
SMILESCc1cc(-c2ccccc2-c2ccccc2-c2cc(C)c(O)c(C)c2C)c(C)c(C)c1O
InChIInChI=1S/C30H30O2/c1-17-15-27(19(3)21(5)29(17)31)25-13-9-7-11-23(25)24-12-8-10-14-26(24)28-16-18(2)30(32)22(6)20(28)4/h7-16,31-32H,1-6H3
InChIKeyKTYHOVNYONLLGA-UHFFFAOYSA-N
XLogP7.95
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.57
LogP ≤ 57.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(4-hydroxy-2,3,5-trimethylphenyl)phenyl]phenyl]-2,3,6-trimethylphenol?
The IUPAC name of 4-[2-[2-(4-hydroxy-2,3,5-trimethylphenyl)phenyl]phenyl]-2,3,6-trimethylphenol (CID 129213063) is 4-[2-[2-(4-hydroxy-2,3,5-trimethylphenyl)phenyl]phenyl]-2,3,6-trimethylphenol.
What is the SMILES notation for 4-[2-[2-(4-hydroxy-2,3,5-trimethylphenyl)phenyl]phenyl]-2,3,6-trimethylphenol?
The canonical SMILES for 4-[2-[2-(4-hydroxy-2,3,5-trimethylphenyl)phenyl]phenyl]-2,3,6-trimethylphenol is Cc1cc(-c2ccccc2-c2ccccc2-c2cc(C)c(O)c(C)c2C)c(C)c(C)c1O.
What is the InChIKey of 4-[2-[2-(4-hydroxy-2,3,5-trimethylphenyl)phenyl]phenyl]-2,3,6-trimethylphenol?
The InChIKey is KTYHOVNYONLLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O2/c1-17-15-27(19(3)21(5)29(17)31)25-13-9-7-11-23(25)24-12-8-10-14-26(24)28-16-18(2)30(32)22(6)20(28)4/h7-16,31-32H,1-6H3.
What are the key properties of 4-[2-[2-(4-hydroxy-2,3,5-trimethylphenyl)phenyl]phenyl]-2,3,6-trimethylphenol?
4-[2-[2-(4-hydroxy-2,3,5-trimethylphenyl)phenyl]phenyl]-2,3,6-trimethylphenol has a molecular weight of 422.57 g/mol, XLogP of 7.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(4-hydroxy-2,3,5-trimethylphenyl)phenyl]phenyl]-2,3,6-trimethylphenol is sourced from PubChem (CID 129213063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).