4-butyl-2-(3,5-ditert-butylphenyl)phenol

C24H34O — CID 141194597

IUPAC4-butyl-2-(3,5-ditert-butylphenyl)phenol
SMILESCCCCc1ccc(O)c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1
InChIInChI=1S/C24H34O/c1-8-9-10-17-11-12-22(25)21(13-17)18-14-19(23(2,3)4)16-20(15-18)24(5,6)7/h11-16,25H,8-10H2,1-7H3
InChIKeyOEDCWOBVOWRAND-UHFFFAOYSA-N
MW338.54 g/mol
LogP7.00
Rot. Bonds4

About 4-butyl-2-(3,5-ditert-butylphenyl)phenol

4-butyl-2-(3,5-ditert-butylphenyl)phenol (PubChem CID 141194597) has the molecular formula C24H34O and a molecular weight of 338.54 g/mol. Its IUPAC name is 4-butyl-2-(3,5-ditert-butylphenyl)phenol.

Molecular Properties

Compound Name4-butyl-2-(3,5-ditert-butylphenyl)phenol
PubChem CID141194597
Molecular FormulaC24H34O
Molecular Weight338.54 g/mol
Exact Mass338.26
IUPAC Name4-butyl-2-(3,5-ditert-butylphenyl)phenol
SMILESCCCCc1ccc(O)c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1
InChIInChI=1S/C24H34O/c1-8-9-10-17-11-12-22(25)21(13-17)18-14-19(23(2,3)4)16-20(15-18)24(5,6)7/h11-16,25H,8-10H2,1-7H3
InChIKeyOEDCWOBVOWRAND-UHFFFAOYSA-N
XLogP7.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.54
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-(3,5-ditert-butylphenyl)phenol?
The IUPAC name of 4-butyl-2-(3,5-ditert-butylphenyl)phenol (CID 141194597) is 4-butyl-2-(3,5-ditert-butylphenyl)phenol.
What is the SMILES notation for 4-butyl-2-(3,5-ditert-butylphenyl)phenol?
The canonical SMILES for 4-butyl-2-(3,5-ditert-butylphenyl)phenol is CCCCc1ccc(O)c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1.
What is the InChIKey of 4-butyl-2-(3,5-ditert-butylphenyl)phenol?
The InChIKey is OEDCWOBVOWRAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O/c1-8-9-10-17-11-12-22(25)21(13-17)18-14-19(23(2,3)4)16-20(15-18)24(5,6)7/h11-16,25H,8-10H2,1-7H3.
What are the key properties of 4-butyl-2-(3,5-ditert-butylphenyl)phenol?
4-butyl-2-(3,5-ditert-butylphenyl)phenol has a molecular weight of 338.54 g/mol, XLogP of 7.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-(3,5-ditert-butylphenyl)phenol is sourced from PubChem (CID 141194597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).