4-(2,6-dimethyl-4-propylphenoxy)-2-methylphenol

C18H22O2 — CID 144504856

IUPAC4-(2,6-dimethyl-4-propylphenoxy)-2-methylphenol
SMILESCCCc1cc(C)c(Oc2ccc(O)c(C)c2)c(C)c1
InChIInChI=1S/C18H22O2/c1-5-6-15-9-13(3)18(14(4)10-15)20-16-7-8-17(19)12(2)11-16/h7-11,19H,5-6H2,1-4H3
InChIKeyAAYQAZQSPCFKBJ-UHFFFAOYSA-N
MW270.37 g/mol
LogP5.06
Rot. Bonds4

About 4-(2,6-dimethyl-4-propylphenoxy)-2-methylphenol

4-(2,6-dimethyl-4-propylphenoxy)-2-methylphenol (PubChem CID 144504856) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-(2,6-dimethyl-4-propylphenoxy)-2-methylphenol.

Molecular Properties

Compound Name4-(2,6-dimethyl-4-propylphenoxy)-2-methylphenol
PubChem CID144504856
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name4-(2,6-dimethyl-4-propylphenoxy)-2-methylphenol
SMILESCCCc1cc(C)c(Oc2ccc(O)c(C)c2)c(C)c1
InChIInChI=1S/C18H22O2/c1-5-6-15-9-13(3)18(14(4)10-15)20-16-7-8-17(19)12(2)11-16/h7-11,19H,5-6H2,1-4H3
InChIKeyAAYQAZQSPCFKBJ-UHFFFAOYSA-N
XLogP5.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.37
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(2-amino-3-hydroxypropyl)-2,6-dimethylphenoxy]-2-methylphenol
CID 123979679
(2R)-2-amino-3-[4-(4-hydroxy-3-methylphenoxy)-3,5-dimethylphenyl]propanoic acid;ethane
CID 143752224
2-[(2-aminoacetyl)amino]-3-[4-(4-hydroxy-3-methylphenoxy)-3,5-dimethylphenyl]propanoic acid
CID 143425304
ethane;2-[4-(4-hydroxy-3-methylphenoxy)-3,5-dimethylphenyl]-N-phenylsulfanylacetamide
CID 144504775
N-benzyl-5-(2,6-dimethyl-4-propylphenoxy)-2-hydroxybenzamide;ethane;N-methylsulfanylformamide
CID 144504914
N-cyclohexa-1,5-dien-1-yl-2-[4-(4-hydroxy-3-methylphenoxy)-3,5-dimethylphenyl]acetamide
CID 144504798
2-methyl-4-phenoxyphenol
CID 23089676
4-butyl-2-methylphenol
CID 10964856
N-benzyl-5-(2,6-dimethyl-4-propylphenoxy)-2-hydroxybenzamide;ethane;N-(2-hydroxyethyl)formamide
CID 144504953
5-[2,6-dimethyl-4-[3-oxo-3-(sulfanylamino)propyl]phenoxy]-2-hydroxybenzamide
CID 144504712
4-[4-[4-[4-hydroxy-3-(2-methylpropyl)phenoxy]-2,6-dimethylphenoxy]phenoxy]-2-(2-methylpropyl)phenol
CID 70442236
4-[4-(2-aminoethyl)-2,6-dimethylphenoxy]aniline
CID 144504905

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethyl-4-propylphenoxy)-2-methylphenol?
The IUPAC name of 4-(2,6-dimethyl-4-propylphenoxy)-2-methylphenol (CID 144504856) is 4-(2,6-dimethyl-4-propylphenoxy)-2-methylphenol.
What is the SMILES notation for 4-(2,6-dimethyl-4-propylphenoxy)-2-methylphenol?
The canonical SMILES for 4-(2,6-dimethyl-4-propylphenoxy)-2-methylphenol is CCCc1cc(C)c(Oc2ccc(O)c(C)c2)c(C)c1.
What is the InChIKey of 4-(2,6-dimethyl-4-propylphenoxy)-2-methylphenol?
The InChIKey is AAYQAZQSPCFKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-5-6-15-9-13(3)18(14(4)10-15)20-16-7-8-17(19)12(2)11-16/h7-11,19H,5-6H2,1-4H3.
What are the key properties of 4-(2,6-dimethyl-4-propylphenoxy)-2-methylphenol?
4-(2,6-dimethyl-4-propylphenoxy)-2-methylphenol has a molecular weight of 270.37 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethyl-4-propylphenoxy)-2-methylphenol is sourced from PubChem (CID 144504856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).