2,3,5-tributyl-4-(methoxymethyl)phenol

C20H34O2 — CID 141352327

IUPAC2,3,5-tributyl-4-(methoxymethyl)phenol
SMILESCCCCc1cc(O)c(CCCC)c(CCCC)c1COC
InChIInChI=1S/C20H34O2/c1-5-8-11-16-14-20(21)18(13-10-7-3)17(12-9-6-2)19(16)15-22-4/h14,21H,5-13,15H2,1-4H3
InChIKeyFOJKGLBKTRITAR-UHFFFAOYSA-N
MW306.49 g/mol
LogP5.57
Rot. Bonds11

About 2,3,5-tributyl-4-(methoxymethyl)phenol

2,3,5-tributyl-4-(methoxymethyl)phenol (PubChem CID 141352327) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is 2,3,5-tributyl-4-(methoxymethyl)phenol.

Molecular Properties

Compound Name2,3,5-tributyl-4-(methoxymethyl)phenol
PubChem CID141352327
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name2,3,5-tributyl-4-(methoxymethyl)phenol
SMILESCCCCc1cc(O)c(CCCC)c(CCCC)c1COC
InChIInChI=1S/C20H34O2/c1-5-8-11-16-14-20(21)18(13-10-7-3)17(12-9-6-2)19(16)15-22-4/h14,21H,5-13,15H2,1-4H3
InChIKeyFOJKGLBKTRITAR-UHFFFAOYSA-N
XLogP5.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,4,5-tetradodecylphenol
CID 21465809
2,3-dibutyl-4,5-diethylphenol
CID 139832191
2,3-dibutyl-5-methylphenol
CID 151375054
2,3,5-tri(nonyl)benzene-1,4-diol
CID 139946381
2,3,5-triheptylbenzene-1,4-diol
CID 139946372
4-butyl-3,5-dipentylbenzene-1,2-diol
CID 87876480
5-butyl-4-pentyl-3-propylbenzene-1,2-diol
CID 87874763
5-butyl-2,3,4-trimethylphenol
CID 150949737
2-butyl-4,5-diethyl-3-methylphenol
CID 139832080
3,5-dibutyl-2-[(2,4-dibutyl-6-hydroxyphenyl)methyl]phenol
CID 86052181
1,2,3,4-tetrabutyl-5-methylbenzene
CID 54311592
2,3,4-tributyl-6-(3,4,5-tributyl-2-hydroxyphenoxy)phenol
CID 177309933

Frequently Asked Questions

What is the IUPAC name of 2,3,5-tributyl-4-(methoxymethyl)phenol?
The IUPAC name of 2,3,5-tributyl-4-(methoxymethyl)phenol (CID 141352327) is 2,3,5-tributyl-4-(methoxymethyl)phenol.
What is the SMILES notation for 2,3,5-tributyl-4-(methoxymethyl)phenol?
The canonical SMILES for 2,3,5-tributyl-4-(methoxymethyl)phenol is CCCCc1cc(O)c(CCCC)c(CCCC)c1COC.
What is the InChIKey of 2,3,5-tributyl-4-(methoxymethyl)phenol?
The InChIKey is FOJKGLBKTRITAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O2/c1-5-8-11-16-14-20(21)18(13-10-7-3)17(12-9-6-2)19(16)15-22-4/h14,21H,5-13,15H2,1-4H3.
What are the key properties of 2,3,5-tributyl-4-(methoxymethyl)phenol?
2,3,5-tributyl-4-(methoxymethyl)phenol has a molecular weight of 306.49 g/mol, XLogP of 5.57, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-tributyl-4-(methoxymethyl)phenol is sourced from PubChem (CID 141352327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).