4-[(3,5-ditert-butyl-2,4,6-trimethylphenyl)methyl]phenol

C24H34O — CID 175079940

IUPAC4-[(3,5-ditert-butyl-2,4,6-trimethylphenyl)methyl]phenol
SMILESCc1c(Cc2ccc(O)cc2)c(C)c(C(C)(C)C)c(C)c1C(C)(C)C
InChIInChI=1S/C24H34O/c1-15-20(14-18-10-12-19(25)13-11-18)16(2)22(24(7,8)9)17(3)21(15)23(4,5)6/h10-13,25H,14H2,1-9H3
InChIKeyQBZLHXUAFXIZSZ-UHFFFAOYSA-N
MW338.54 g/mol
LogP6.50
Rot. Bonds2

About 4-[(3,5-ditert-butyl-2,4,6-trimethylphenyl)methyl]phenol

4-[(3,5-ditert-butyl-2,4,6-trimethylphenyl)methyl]phenol (PubChem CID 175079940) has the molecular formula C24H34O and a molecular weight of 338.54 g/mol. Its IUPAC name is 4-[(3,5-ditert-butyl-2,4,6-trimethylphenyl)methyl]phenol.

Molecular Properties

Compound Name4-[(3,5-ditert-butyl-2,4,6-trimethylphenyl)methyl]phenol
PubChem CID175079940
Molecular FormulaC24H34O
Molecular Weight338.54 g/mol
Exact Mass338.26
IUPAC Name4-[(3,5-ditert-butyl-2,4,6-trimethylphenyl)methyl]phenol
SMILESCc1c(Cc2ccc(O)cc2)c(C)c(C(C)(C)C)c(C)c1C(C)(C)C
InChIInChI=1S/C24H34O/c1-15-20(14-18-10-12-19(25)13-11-18)16(2)22(24(7,8)9)17(3)21(15)23(4,5)6/h10-13,25H,14H2,1-9H3
InChIKeyQBZLHXUAFXIZSZ-UHFFFAOYSA-N
XLogP6.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.54
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-ditert-butyl-2,4,6-trimethylphenyl)methyl]phenol?
The IUPAC name of 4-[(3,5-ditert-butyl-2,4,6-trimethylphenyl)methyl]phenol (CID 175079940) is 4-[(3,5-ditert-butyl-2,4,6-trimethylphenyl)methyl]phenol.
What is the SMILES notation for 4-[(3,5-ditert-butyl-2,4,6-trimethylphenyl)methyl]phenol?
The canonical SMILES for 4-[(3,5-ditert-butyl-2,4,6-trimethylphenyl)methyl]phenol is Cc1c(Cc2ccc(O)cc2)c(C)c(C(C)(C)C)c(C)c1C(C)(C)C.
What is the InChIKey of 4-[(3,5-ditert-butyl-2,4,6-trimethylphenyl)methyl]phenol?
The InChIKey is QBZLHXUAFXIZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O/c1-15-20(14-18-10-12-19(25)13-11-18)16(2)22(24(7,8)9)17(3)21(15)23(4,5)6/h10-13,25H,14H2,1-9H3.
What are the key properties of 4-[(3,5-ditert-butyl-2,4,6-trimethylphenyl)methyl]phenol?
4-[(3,5-ditert-butyl-2,4,6-trimethylphenyl)methyl]phenol has a molecular weight of 338.54 g/mol, XLogP of 6.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-ditert-butyl-2,4,6-trimethylphenyl)methyl]phenol is sourced from PubChem (CID 175079940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).