3-tert-butyl-4-methoxyphenol

C11H16O2 — CID 6932

IUPAC3-tert-butyl-4-methoxyphenol
SMILESCOc1ccc(O)cc1C(C)(C)C
InChIInChI=1S/C11H16O2/c1-11(2,3)9-7-8(12)5-6-10(9)13-4/h5-7,12H,1-4H3
InChIKeyIMOYOUMVYICGCA-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.70
Rot. Bonds1

About 3-tert-butyl-4-methoxyphenol

3-tert-butyl-4-methoxyphenol (PubChem CID 6932) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-tert-butyl-4-methoxyphenol.

Molecular Properties

Compound Name3-tert-butyl-4-methoxyphenol
PubChem CID6932
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name3-tert-butyl-4-methoxyphenol
SMILESCOc1ccc(O)cc1C(C)(C)C
InChIInChI=1S/C11H16O2/c1-11(2,3)9-7-8(12)5-6-10(9)13-4/h5-7,12H,1-4H3
InChIKeyIMOYOUMVYICGCA-UHFFFAOYSA-N
XLogP2.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-methoxyphenol?
The IUPAC name of 3-tert-butyl-4-methoxyphenol (CID 6932) is 3-tert-butyl-4-methoxyphenol.
What is the SMILES notation for 3-tert-butyl-4-methoxyphenol?
The canonical SMILES for 3-tert-butyl-4-methoxyphenol is COc1ccc(O)cc1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-4-methoxyphenol?
The InChIKey is IMOYOUMVYICGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-11(2,3)9-7-8(12)5-6-10(9)13-4/h5-7,12H,1-4H3.
What are the key properties of 3-tert-butyl-4-methoxyphenol?
3-tert-butyl-4-methoxyphenol has a molecular weight of 180.25 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-methoxyphenol is sourced from PubChem (CID 6932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).