2,6-ditert-butyl-4-(7-methyloctoxymethyl)phenol

C24H42O2 — CID 139750570

IUPAC2,6-ditert-butyl-4-(7-methyloctoxymethyl)phenol
SMILESCC(C)CCCCCCOCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C24H42O2/c1-18(2)13-11-9-10-12-14-26-17-19-15-20(23(3,4)5)22(25)21(16-19)24(6,7)8/h15-16,18,25H,9-14,17H2,1-8H3
InChIKeyVSVOUXZBMMDYQK-UHFFFAOYSA-N
MW362.60 g/mol
LogP7.11
Rot. Bonds9

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

2,6-ditert-butyl-4-(7-methyloctoxymethyl)phenol (PubChem CID 139750570) has the molecular formula C24H42O2 and a molecular weight of 362.60 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-(7-methyloctoxymethyl)phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-(7-methyloctoxymethyl)phenol
PubChem CID139750570
Molecular FormulaC24H42O2
Molecular Weight362.60 g/mol
Exact Mass362.32
IUPAC Name2,6-ditert-butyl-4-(7-methyloctoxymethyl)phenol
SMILESCC(C)CCCCCCOCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C24H42O2/c1-18(2)13-11-9-10-12-14-26-17-19-15-20(23(3,4)5)22(25)21(16-19)24(6,7)8/h15-16,18,25H,9-14,17H2,1-8H3
InChIKeyVSVOUXZBMMDYQK-UHFFFAOYSA-N
XLogP7.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.60
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-4-(decoxymethyl)-6-propan-2-ylphenol
CID 87421639
10-methylundecyl 2-(3,5-ditert-butyl-4-hydroxyphenyl)acetate
CID 54498839
2-tert-butyl-4-(hexadecoxymethyl)-6-methylphenol
CID 87421552
2,6-ditert-butyl-4-(2-ethyl-6-methylheptyl)phenol
CID 91434310
2,6-ditert-butyl-4-(2-methylpropyl)phenol
CID 161371021
2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-13-methyl-2-sulfanyltetradecanoic acid
CID 150119787
2,6-ditert-butyl-4-(3,7-dimethyloctoxy)phenol
CID 15486872
2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-octadecoxybutanoic acid
CID 54222342
2,6-ditert-butylphenol;6-methylheptyl propanoate
CID 175093324
(3,5-ditert-butyl-4-hydroxyphenyl)methyl dioctyl phosphate
CID 140986607
2,6-ditert-butyl-4-(1-hydroxy-6-methylheptan-2-yl)phenol
CID 170163068
3-[(3,5-ditert-butyl-4-methoxyphenyl)methoxy]propan-1-ol
CID 21199268

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-(7-methyloctoxymethyl)phenol?
The IUPAC name of 2,6-ditert-butyl-4-(7-methyloctoxymethyl)phenol (CID 139750570) is 2,6-ditert-butyl-4-(7-methyloctoxymethyl)phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-(7-methyloctoxymethyl)phenol?
The canonical SMILES for 2,6-ditert-butyl-4-(7-methyloctoxymethyl)phenol is CC(C)CCCCCCOCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,6-ditert-butyl-4-(7-methyloctoxymethyl)phenol?
The InChIKey is VSVOUXZBMMDYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O2/c1-18(2)13-11-9-10-12-14-26-17-19-15-20(23(3,4)5)22(25)21(16-19)24(6,7)8/h15-16,18,25H,9-14,17H2,1-8H3.
What are the key properties of 2,6-ditert-butyl-4-(7-methyloctoxymethyl)phenol?
2,6-ditert-butyl-4-(7-methyloctoxymethyl)phenol has a molecular weight of 362.60 g/mol, XLogP of 7.11, 9 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-(7-methyloctoxymethyl)phenol is sourced from PubChem (CID 139750570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).