2,6-ditert-butyl-4-(3,7-dimethyloctoxy)phenol

C24H42O2 — CID 15486872

IUPAC2,6-ditert-butyl-4-(3,7-dimethyloctoxy)phenol
SMILESCC(C)CCCC(C)CCOc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C24H42O2/c1-17(2)11-10-12-18(3)13-14-26-19-15-20(23(4,5)6)22(25)21(16-19)24(7,8)9/h15-18,25H,10-14H2,1-9H3
InChIKeyNFWNIVTUOXKQKT-UHFFFAOYSA-N
MW362.60 g/mol
LogP7.22
Rot. Bonds8

About 2,6-ditert-butyl-4-(3,7-dimethyloctoxy)phenol

2,6-ditert-butyl-4-(3,7-dimethyloctoxy)phenol (PubChem CID 15486872) has the molecular formula C24H42O2 and a molecular weight of 362.60 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-(3,7-dimethyloctoxy)phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-(3,7-dimethyloctoxy)phenol
PubChem CID15486872
Molecular FormulaC24H42O2
Molecular Weight362.60 g/mol
Exact Mass362.32
IUPAC Name2,6-ditert-butyl-4-(3,7-dimethyloctoxy)phenol
SMILESCC(C)CCCC(C)CCOc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C24H42O2/c1-17(2)11-10-12-18(3)13-14-26-19-15-20(23(4,5)6)22(25)21(16-19)24(7,8)9/h15-18,25H,10-14H2,1-9H3
InChIKeyNFWNIVTUOXKQKT-UHFFFAOYSA-N
XLogP7.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.60
LogP ≤ 57.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2,6-ditert-butyl-4-(3,7-dimethyloctoxy)phenyl] butanoate
CID 57009682
2,6-ditert-butyl-4-(2-hydroxyethoxy)phenol
CID 22769816
4-(3,5-ditert-butyl-4-hydroxyphenoxy)butanenitrile
CID 15027734
2,6-ditert-butyl-4-decoxyphenol
CID 18417198
2,6-ditert-butyl-4-(1-hydroxy-6-methylheptan-2-yl)phenol
CID 170163068
2,6-ditert-butyl-4-(7-methyloctoxymethyl)phenol
CID 139750570
2,3,6,7,10,11-hexakis(3,7-dimethyloctoxy)triphenylene
CID 11320772
2,3,6,7,10,11-hexakis[(3R)-3,7-dimethyloctoxy]triphenylene
CID 100942085
1-methoxy-3-(3,7,11,15-tetramethylhexadecoxy)benzene
CID 141321330
10-methylundecyl 2-(3,5-ditert-butyl-4-hydroxyphenyl)acetate
CID 54498839
2,6-ditert-butyl-4-ethoxyphenol;ethane
CID 143041042
[2,4-bis(3,7,11,15-tetramethylhexadecoxy)phenyl]methanol
CID 56940895

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-(3,7-dimethyloctoxy)phenol?
The IUPAC name of 2,6-ditert-butyl-4-(3,7-dimethyloctoxy)phenol (CID 15486872) is 2,6-ditert-butyl-4-(3,7-dimethyloctoxy)phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-(3,7-dimethyloctoxy)phenol?
The canonical SMILES for 2,6-ditert-butyl-4-(3,7-dimethyloctoxy)phenol is CC(C)CCCC(C)CCOc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,6-ditert-butyl-4-(3,7-dimethyloctoxy)phenol?
The InChIKey is NFWNIVTUOXKQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O2/c1-17(2)11-10-12-18(3)13-14-26-19-15-20(23(4,5)6)22(25)21(16-19)24(7,8)9/h15-18,25H,10-14H2,1-9H3.
What are the key properties of 2,6-ditert-butyl-4-(3,7-dimethyloctoxy)phenol?
2,6-ditert-butyl-4-(3,7-dimethyloctoxy)phenol has a molecular weight of 362.60 g/mol, XLogP of 7.22, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-(3,7-dimethyloctoxy)phenol is sourced from PubChem (CID 15486872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).