2-tert-butyl-4-methoxyphenol;3-tert-butyl-4-methoxyphenol

C22H32O4 — CID 24667

IUPAC2-tert-butyl-4-methoxyphenol;3-tert-butyl-4-methoxyphenol
SMILESCOc1ccc(O)c(C(C)(C)C)c1.COc1ccc(O)cc1C(C)(C)C
InChIInChI=1S/2C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12;1-11(2,3)9-7-8(12)5-6-10(9)13-4/h2*5-7,12H,1-4H3
InChIKeyCZBZUDVBLSSABA-UHFFFAOYSA-N
MW360.49 g/mol
LogP5.40
Rot. Bonds2

About 2-tert-butyl-4-methoxyphenol;3-tert-butyl-4-methoxyphenol

2-tert-butyl-4-methoxyphenol;3-tert-butyl-4-methoxyphenol (PubChem CID 24667) has the molecular formula C22H32O4 and a molecular weight of 360.49 g/mol. Its IUPAC name is 2-tert-butyl-4-methoxyphenol;3-tert-butyl-4-methoxyphenol.

Molecular Properties

Compound Name2-tert-butyl-4-methoxyphenol;3-tert-butyl-4-methoxyphenol
PubChem CID24667
Molecular FormulaC22H32O4
Molecular Weight360.49 g/mol
Exact Mass360.23
IUPAC Name2-tert-butyl-4-methoxyphenol;3-tert-butyl-4-methoxyphenol
SMILESCOc1ccc(O)c(C(C)(C)C)c1.COc1ccc(O)cc1C(C)(C)C
InChIInChI=1S/2C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12;1-11(2,3)9-7-8(12)5-6-10(9)13-4/h2*5-7,12H,1-4H3
InChIKeyCZBZUDVBLSSABA-UHFFFAOYSA-N
XLogP5.40
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.49
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methoxyphenol;3-tert-butyl-4-methoxyphenol?
The IUPAC name of 2-tert-butyl-4-methoxyphenol;3-tert-butyl-4-methoxyphenol (CID 24667) is 2-tert-butyl-4-methoxyphenol;3-tert-butyl-4-methoxyphenol.
What is the SMILES notation for 2-tert-butyl-4-methoxyphenol;3-tert-butyl-4-methoxyphenol?
The canonical SMILES for 2-tert-butyl-4-methoxyphenol;3-tert-butyl-4-methoxyphenol is COc1ccc(O)c(C(C)(C)C)c1.COc1ccc(O)cc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-4-methoxyphenol;3-tert-butyl-4-methoxyphenol?
The InChIKey is CZBZUDVBLSSABA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12;1-11(2,3)9-7-8(12)5-6-10(9)13-4/h2*5-7,12H,1-4H3.
What are the key properties of 2-tert-butyl-4-methoxyphenol;3-tert-butyl-4-methoxyphenol?
2-tert-butyl-4-methoxyphenol;3-tert-butyl-4-methoxyphenol has a molecular weight of 360.49 g/mol, XLogP of 5.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methoxyphenol;3-tert-butyl-4-methoxyphenol is sourced from PubChem (CID 24667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).