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

C16H26O2 — CID 6911

IUPAC2,6-ditert-butyl-4-(methoxymethyl)phenol
SMILESCOCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C16H26O2/c1-15(2,3)12-8-11(10-18-7)9-13(14(12)17)16(4,5)6/h8-9,17H,10H2,1-7H3
InChIKeySCXYLTWTWUGEAA-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.13
Rot. Bonds2

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

2,6-ditert-butyl-4-(methoxymethyl)phenol (PubChem CID 6911) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-(methoxymethyl)phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-(methoxymethyl)phenol
PubChem CID6911
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name2,6-ditert-butyl-4-(methoxymethyl)phenol
SMILESCOCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C16H26O2/c1-15(2,3)12-8-11(10-18-7)9-13(14(12)17)16(4,5)6/h8-9,17H,10H2,1-7H3
InChIKeySCXYLTWTWUGEAA-UHFFFAOYSA-N
XLogP4.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-(methoxymethyl)phenol?
The IUPAC name of 2,6-ditert-butyl-4-(methoxymethyl)phenol (CID 6911) is 2,6-ditert-butyl-4-(methoxymethyl)phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-(methoxymethyl)phenol?
The canonical SMILES for 2,6-ditert-butyl-4-(methoxymethyl)phenol is COCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,6-ditert-butyl-4-(methoxymethyl)phenol?
The InChIKey is SCXYLTWTWUGEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-15(2,3)12-8-11(10-18-7)9-13(14(12)17)16(4,5)6/h8-9,17H,10H2,1-7H3.
What are the key properties of 2,6-ditert-butyl-4-(methoxymethyl)phenol?
2,6-ditert-butyl-4-(methoxymethyl)phenol has a molecular weight of 250.38 g/mol, XLogP of 4.13, 2 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-(methoxymethyl)phenol is sourced from PubChem (CID 6911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).