2,6-ditert-butyl-4-[(3-methoxyoxetan-2-yl)methyl]phenol

C19H30O3 — CID 155479617

IUPAC2,6-ditert-butyl-4-[(3-methoxyoxetan-2-yl)methyl]phenol
SMILESCOC1COC1Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C19H30O3/c1-18(2,3)13-8-12(10-15-16(21-7)11-22-15)9-14(17(13)20)19(4,5)6/h8-9,15-16,20H,10-11H2,1-7H3
InChIKeyNNPLFMWYVQEEJA-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.94
Rot. Bonds3

About 2,6-ditert-butyl-4-[(3-methoxyoxetan-2-yl)methyl]phenol

2,6-ditert-butyl-4-[(3-methoxyoxetan-2-yl)methyl]phenol (PubChem CID 155479617) has the molecular formula C19H30O3 and a molecular weight of 306.45 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[(3-methoxyoxetan-2-yl)methyl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[(3-methoxyoxetan-2-yl)methyl]phenol
PubChem CID155479617
Molecular FormulaC19H30O3
Molecular Weight306.45 g/mol
Exact Mass306.22
IUPAC Name2,6-ditert-butyl-4-[(3-methoxyoxetan-2-yl)methyl]phenol
SMILESCOC1COC1Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C19H30O3/c1-18(2,3)13-8-12(10-15-16(21-7)11-22-15)9-14(17(13)20)19(4,5)6/h8-9,15-16,20H,10-11H2,1-7H3
InChIKeyNNPLFMWYVQEEJA-UHFFFAOYSA-N
XLogP3.94
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,6-ditert-butyl-4-[(3-methoxyoxetan-2-yl)methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-ditert-butyl-4-(morpholin-2-ylmethyl)phenol
CID 88670250
2,6-ditert-butyl-4-(trimethylsilyloxymethyl)phenol
CID 18406218
2,6-ditert-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]phenol
CID 3537388
[2-[3-[1-[3-[3-tert-butyl-4-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propanoyloxy]-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl] 3-[3-tert-butyl-4-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propanoate
CID 139646374
2,6-ditert-butyl-4-[5-(cyclopropylmethyl)-1,3-dioxan-2-yl]phenol
CID 171758185
2,6-ditert-butyl-4-(nitrosomethyl)phenol
CID 54100018
2,6-ditert-butyl-4-[[4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2,3,5,6-tetramethylphenyl]methyl]phenol
CID 159788549
2,6-ditert-butyl-4-propylphenol;methyl formate
CID 145003703
2,6-ditert-butyl-4-[[(3,5-ditert-butyl-4-hydroxyphenyl)-(oxiran-2-yl)methoxy]-(oxiran-2-yl)methyl]phenol
CID 139646322
methyl 1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-5-oxopyrrolidine-2-carboxylate
CID 10570588
O-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl] ethanethioate
CID 87143193
bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl] propanedioate
CID 54266161

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[(3-methoxyoxetan-2-yl)methyl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[(3-methoxyoxetan-2-yl)methyl]phenol (CID 155479617) is 2,6-ditert-butyl-4-[(3-methoxyoxetan-2-yl)methyl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[(3-methoxyoxetan-2-yl)methyl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[(3-methoxyoxetan-2-yl)methyl]phenol is COC1COC1Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,6-ditert-butyl-4-[(3-methoxyoxetan-2-yl)methyl]phenol?
The InChIKey is NNPLFMWYVQEEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O3/c1-18(2,3)13-8-12(10-15-16(21-7)11-22-15)9-14(17(13)20)19(4,5)6/h8-9,15-16,20H,10-11H2,1-7H3.
What are the key properties of 2,6-ditert-butyl-4-[(3-methoxyoxetan-2-yl)methyl]phenol?
2,6-ditert-butyl-4-[(3-methoxyoxetan-2-yl)methyl]phenol has a molecular weight of 306.45 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[(3-methoxyoxetan-2-yl)methyl]phenol is sourced from PubChem (CID 155479617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).