4-(2,6-ditert-butyl-4-propylphenyl)phenol

C23H32O — CID 175331459

IUPAC4-(2,6-ditert-butyl-4-propylphenyl)phenol
SMILESCCCc1cc(C(C)(C)C)c(-c2ccc(O)cc2)c(C(C)(C)C)c1
InChIInChI=1S/C23H32O/c1-8-9-16-14-19(22(2,3)4)21(20(15-16)23(5,6)7)17-10-12-18(24)13-11-17/h10-15,24H,8-9H2,1-7H3
InChIKeyLHYSEWVDXNJACS-UHFFFAOYSA-N
MW324.51 g/mol
LogP6.61
Rot. Bonds3

About 4-(2,6-ditert-butyl-4-propylphenyl)phenol

4-(2,6-ditert-butyl-4-propylphenyl)phenol (PubChem CID 175331459) has the molecular formula C23H32O and a molecular weight of 324.51 g/mol. Its IUPAC name is 4-(2,6-ditert-butyl-4-propylphenyl)phenol.

Molecular Properties

Compound Name4-(2,6-ditert-butyl-4-propylphenyl)phenol
PubChem CID175331459
Molecular FormulaC23H32O
Molecular Weight324.51 g/mol
Exact Mass324.25
IUPAC Name4-(2,6-ditert-butyl-4-propylphenyl)phenol
SMILESCCCc1cc(C(C)(C)C)c(-c2ccc(O)cc2)c(C(C)(C)C)c1
InChIInChI=1S/C23H32O/c1-8-9-16-14-19(22(2,3)4)21(20(15-16)23(5,6)7)17-10-12-18(24)13-11-17/h10-15,24H,8-9H2,1-7H3
InChIKeyLHYSEWVDXNJACS-UHFFFAOYSA-N
XLogP6.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.51
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[3-[4-(4-propylphenyl)phenyl]propyl]phenol
CID 59265255
ethane;4-(4-hydroxyphenyl)phenol;propylbenzene
CID 174751919
4-butyl-2,6-ditert-butylphenol
CID 158079570
2,6-ditert-butyl-4-propylphenol;methyl formate
CID 145003703
5-propylbenzene-1,3-diol
CID 3083600
2-tert-butyl-1-fluoro-4-propylbenzene
CID 139403848
4-(3,5-dibutylphenyl)phenol
CID 175464122
2-tert-butyl-4-ethyl-6-sulfanylphenol
CID 15789894
2-(2-tert-butyl-4-propylphenoxy)ethanol
CID 146523971
4-(2-fluoro-4-propylphenyl)phenol
CID 139457311
2-tert-butyl-6-[[(3-tert-butyl-2-hydroxy-5-propylphenyl)methylideneamino]methyliminomethyl]-4-propylphenol
CID 137103949
4-[2,6-dimethyl-4-(2-methylbutan-2-yl)phenyl]phenol
CID 174821051

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-ditert-butyl-4-propylphenyl)phenol?
The IUPAC name of 4-(2,6-ditert-butyl-4-propylphenyl)phenol (CID 175331459) is 4-(2,6-ditert-butyl-4-propylphenyl)phenol.
What is the SMILES notation for 4-(2,6-ditert-butyl-4-propylphenyl)phenol?
The canonical SMILES for 4-(2,6-ditert-butyl-4-propylphenyl)phenol is CCCc1cc(C(C)(C)C)c(-c2ccc(O)cc2)c(C(C)(C)C)c1.
What is the InChIKey of 4-(2,6-ditert-butyl-4-propylphenyl)phenol?
The InChIKey is LHYSEWVDXNJACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O/c1-8-9-16-14-19(22(2,3)4)21(20(15-16)23(5,6)7)17-10-12-18(24)13-11-17/h10-15,24H,8-9H2,1-7H3.
What are the key properties of 4-(2,6-ditert-butyl-4-propylphenyl)phenol?
4-(2,6-ditert-butyl-4-propylphenyl)phenol has a molecular weight of 324.51 g/mol, XLogP of 6.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-ditert-butyl-4-propylphenyl)phenol is sourced from PubChem (CID 175331459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).