5-(3-butan-2-yloxy-2-hydroxypropoxy)-2-methylphenol;2,4,6-trimethyl-1,3,5-triazine

C20H31N3O4 — CID 54422880

IUPAC5-(3-butan-2-yloxy-2-hydroxypropoxy)-2-methylphenol;2,4,6-trimethyl-1,3,5-triazine
SMILESCCC(C)OCC(O)COc1ccc(C)c(O)c1.Cc1nc(C)nc(C)n1
InChIInChI=1S/C14H22O4.C6H9N3/c1-4-11(3)17-8-12(15)9-18-13-6-5-10(2)14(16)7-13;1-4-7-5(2)9-6(3)8-4/h5-7,11-12,15-16H,4,8-9H2,1-3H3;1-3H3
InChIKeyWCALLQZGCHOLOD-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.05
Rot. Bonds7

About 5-(3-butan-2-yloxy-2-hydroxypropoxy)-2-methylphenol;2,4,6-trimethyl-1,3,5-triazine

5-(3-butan-2-yloxy-2-hydroxypropoxy)-2-methylphenol;2,4,6-trimethyl-1,3,5-triazine (PubChem CID 54422880) has the molecular formula C20H31N3O4 and a molecular weight of 377.49 g/mol. Its IUPAC name is 5-(3-butan-2-yloxy-2-hydroxypropoxy)-2-methylphenol;2,4,6-trimethyl-1,3,5-triazine.

Molecular Properties

Compound Name5-(3-butan-2-yloxy-2-hydroxypropoxy)-2-methylphenol;2,4,6-trimethyl-1,3,5-triazine
PubChem CID54422880
Molecular FormulaC20H31N3O4
Molecular Weight377.49 g/mol
Exact Mass377.23
IUPAC Name5-(3-butan-2-yloxy-2-hydroxypropoxy)-2-methylphenol;2,4,6-trimethyl-1,3,5-triazine
SMILESCCC(C)OCC(O)COc1ccc(C)c(O)c1.Cc1nc(C)nc(C)n1
InChIInChI=1S/C14H22O4.C6H9N3/c1-4-11(3)17-8-12(15)9-18-13-6-5-10(2)14(16)7-13;1-4-7-5(2)9-6(3)8-4/h5-7,11-12,15-16H,4,8-9H2,1-3H3;1-3H3
InChIKeyWCALLQZGCHOLOD-UHFFFAOYSA-N
XLogP3.05
TPSA97.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-butan-2-yloxy-2-hydroxypropoxy)phenol
CID 141158658
5-(3-heptan-3-yloxy-2-hydroxypropoxy)-2-methylphenol
CID 54296084
5-(2-hydroxy-3-tridecoxypropoxy)-2-methylphenol
CID 59445639
5-butoxy-2-methylphenol
CID 59445644
2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-dodecoxyphenol;5-(3-butoxy-2-hydroxypropoxy)-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenol;methane
CID 139606045
5-(3-decoxy-2-hydroxypropoxy)-2-[4-(2,4-dimethylphenyl)-6-methyl-1,3,5-triazin-2-yl]phenol
CID 155733634
2-[4,6-bis[2-hydroxy-4-(2-methylbutoxy)phenyl]-1,3,5-triazin-2-yl]-5-(2-methylbutoxy)phenol
CID 135611720
1-[(2-methyl-1,3-benzothiazol-6-yl)oxy]butan-2-ol
CID 90124996
ethyl 4-[[4,6-bis[2-hydroxy-4-(2-hydroxy-3-propan-2-yloxypropoxy)phenyl]-1,3,5-triazin-2-yl]amino]benzoate
CID 135484163
bis(2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(3-butoxy-2-hydroxypropoxy)phenol);methane
CID 160511620
1,2-dimethyl-4-(2-methylpropoxy)benzene
CID 20812254
2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-[(2S)-3-[(2R)-2-ethylhexoxy]-2-hydroxypropoxy]phenol
CID 137157412

Frequently Asked Questions

What is the IUPAC name of 5-(3-butan-2-yloxy-2-hydroxypropoxy)-2-methylphenol;2,4,6-trimethyl-1,3,5-triazine?
The IUPAC name of 5-(3-butan-2-yloxy-2-hydroxypropoxy)-2-methylphenol;2,4,6-trimethyl-1,3,5-triazine (CID 54422880) is 5-(3-butan-2-yloxy-2-hydroxypropoxy)-2-methylphenol;2,4,6-trimethyl-1,3,5-triazine.
What is the SMILES notation for 5-(3-butan-2-yloxy-2-hydroxypropoxy)-2-methylphenol;2,4,6-trimethyl-1,3,5-triazine?
The canonical SMILES for 5-(3-butan-2-yloxy-2-hydroxypropoxy)-2-methylphenol;2,4,6-trimethyl-1,3,5-triazine is CCC(C)OCC(O)COc1ccc(C)c(O)c1.Cc1nc(C)nc(C)n1.
What is the InChIKey of 5-(3-butan-2-yloxy-2-hydroxypropoxy)-2-methylphenol;2,4,6-trimethyl-1,3,5-triazine?
The InChIKey is WCALLQZGCHOLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4.C6H9N3/c1-4-11(3)17-8-12(15)9-18-13-6-5-10(2)14(16)7-13;1-4-7-5(2)9-6(3)8-4/h5-7,11-12,15-16H,4,8-9H2,1-3H3;1-3H3.
What are the key properties of 5-(3-butan-2-yloxy-2-hydroxypropoxy)-2-methylphenol;2,4,6-trimethyl-1,3,5-triazine?
5-(3-butan-2-yloxy-2-hydroxypropoxy)-2-methylphenol;2,4,6-trimethyl-1,3,5-triazine has a molecular weight of 377.49 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-butan-2-yloxy-2-hydroxypropoxy)-2-methylphenol;2,4,6-trimethyl-1,3,5-triazine is sourced from PubChem (CID 54422880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).