2-tert-butyl-4-(ethoxymethyl)-6-methylphenol

C14H22O2 — CID 14982148

IUPAC2-tert-butyl-4-(ethoxymethyl)-6-methylphenol
SMILESCCOCc1cc(C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C14H22O2/c1-6-16-9-11-7-10(2)13(15)12(8-11)14(3,4)5/h7-8,15H,6,9H2,1-5H3
InChIKeyIRTFFPOQCVDGAA-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.53
Rot. Bonds3

About 2-tert-butyl-4-(ethoxymethyl)-6-methylphenol

2-tert-butyl-4-(ethoxymethyl)-6-methylphenol (PubChem CID 14982148) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-tert-butyl-4-(ethoxymethyl)-6-methylphenol.

Molecular Properties

Compound Name2-tert-butyl-4-(ethoxymethyl)-6-methylphenol
PubChem CID14982148
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-tert-butyl-4-(ethoxymethyl)-6-methylphenol
SMILESCCOCc1cc(C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C14H22O2/c1-6-16-9-11-7-10(2)13(15)12(8-11)14(3,4)5/h7-8,15H,6,9H2,1-5H3
InChIKeyIRTFFPOQCVDGAA-UHFFFAOYSA-N
XLogP3.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(ethoxymethyl)-6-methylphenol?
The IUPAC name of 2-tert-butyl-4-(ethoxymethyl)-6-methylphenol (CID 14982148) is 2-tert-butyl-4-(ethoxymethyl)-6-methylphenol.
What is the SMILES notation for 2-tert-butyl-4-(ethoxymethyl)-6-methylphenol?
The canonical SMILES for 2-tert-butyl-4-(ethoxymethyl)-6-methylphenol is CCOCc1cc(C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-4-(ethoxymethyl)-6-methylphenol?
The InChIKey is IRTFFPOQCVDGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-6-16-9-11-7-10(2)13(15)12(8-11)14(3,4)5/h7-8,15H,6,9H2,1-5H3.
What are the key properties of 2-tert-butyl-4-(ethoxymethyl)-6-methylphenol?
2-tert-butyl-4-(ethoxymethyl)-6-methylphenol has a molecular weight of 222.33 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(ethoxymethyl)-6-methylphenol is sourced from PubChem (CID 14982148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).