4-butan-2-yl-2,6-ditert-butyl-3-phenylphenol

C24H34O — CID 172822777

IUPAC4-butan-2-yl-2,6-ditert-butyl-3-phenylphenol
SMILESCCC(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1-c1ccccc1
InChIInChI=1S/C24H34O/c1-9-16(2)18-15-19(23(3,4)5)22(25)21(24(6,7)8)20(18)17-13-11-10-12-14-17/h10-16,25H,9H2,1-8H3
InChIKeyULGVFIOVAWMBKP-UHFFFAOYSA-N
MW338.53 g/mol
LogP7.17
Rot. Bonds3

About 4-butan-2-yl-2,6-ditert-butyl-3-phenylphenol

4-butan-2-yl-2,6-ditert-butyl-3-phenylphenol (PubChem CID 172822777) has the molecular formula C24H34O and a molecular weight of 338.53 g/mol. Its IUPAC name is 4-butan-2-yl-2,6-ditert-butyl-3-phenylphenol.

Molecular Properties

Compound Name4-butan-2-yl-2,6-ditert-butyl-3-phenylphenol
PubChem CID172822777
Molecular FormulaC24H34O
Molecular Weight338.53 g/mol
Exact Mass338.26
IUPAC Name4-butan-2-yl-2,6-ditert-butyl-3-phenylphenol
SMILESCCC(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1-c1ccccc1
InChIInChI=1S/C24H34O/c1-9-16(2)18-15-19(23(3,4)5)22(25)21(24(6,7)8)20(18)17-13-11-10-12-14-17/h10-16,25H,9H2,1-8H3
InChIKeyULGVFIOVAWMBKP-UHFFFAOYSA-N
XLogP7.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.53
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-butan-2-yl-2,6-ditert-butyl-3-phenylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-2,6-ditert-butyl-3-phenylphenol?
The IUPAC name of 4-butan-2-yl-2,6-ditert-butyl-3-phenylphenol (CID 172822777) is 4-butan-2-yl-2,6-ditert-butyl-3-phenylphenol.
What is the SMILES notation for 4-butan-2-yl-2,6-ditert-butyl-3-phenylphenol?
The canonical SMILES for 4-butan-2-yl-2,6-ditert-butyl-3-phenylphenol is CCC(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1-c1ccccc1.
What is the InChIKey of 4-butan-2-yl-2,6-ditert-butyl-3-phenylphenol?
The InChIKey is ULGVFIOVAWMBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O/c1-9-16(2)18-15-19(23(3,4)5)22(25)21(24(6,7)8)20(18)17-13-11-10-12-14-17/h10-16,25H,9H2,1-8H3.
What are the key properties of 4-butan-2-yl-2,6-ditert-butyl-3-phenylphenol?
4-butan-2-yl-2,6-ditert-butyl-3-phenylphenol has a molecular weight of 338.53 g/mol, XLogP of 7.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-2,6-ditert-butyl-3-phenylphenol is sourced from PubChem (CID 172822777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).