bis(2,6-diethylphenol);1,4-xylene

C28H38O2 — CID 160641052

IUPACbis(2,6-diethylphenol);1,4-xylene
SMILESCCc1cccc(CC)c1O.CCc1cccc(CC)c1O.Cc1ccc(C)cc1
InChIInChI=1S/2C10H14O.C8H10/c2*1-3-8-6-5-7-9(4-2)10(8)11;1-7-3-5-8(2)6-4-7/h2*5-7,11H,3-4H2,1-2H3;3-6H,1-2H3
InChIKeyRJEGBAQZCIHXOG-UHFFFAOYSA-N
MW406.61 g/mol
LogP7.34
Rot. Bonds4

About bis(2,6-diethylphenol);1,4-xylene

bis(2,6-diethylphenol);1,4-xylene (PubChem CID 160641052) has the molecular formula C28H38O2 and a molecular weight of 406.61 g/mol. Its IUPAC name is bis(2,6-diethylphenol);1,4-xylene.

Molecular Properties

Compound Namebis(2,6-diethylphenol);1,4-xylene
PubChem CID160641052
Molecular FormulaC28H38O2
Molecular Weight406.61 g/mol
Exact Mass406.29
IUPAC Namebis(2,6-diethylphenol);1,4-xylene
SMILESCCc1cccc(CC)c1O.CCc1cccc(CC)c1O.Cc1ccc(C)cc1
InChIInChI=1S/2C10H14O.C8H10/c2*1-3-8-6-5-7-9(4-2)10(8)11;1-7-3-5-8(2)6-4-7/h2*5-7,11H,3-4H2,1-2H3;3-6H,1-2H3
InChIKeyRJEGBAQZCIHXOG-UHFFFAOYSA-N
XLogP7.34
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.61
LogP ≤ 57.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze bis(2,6-diethylphenol);1,4-xylene 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-ethyl-6-(3-ethyl-2-hydroxyphenyl)phenol
CID 14783606
3-ethylbenzene-1,2-diol;3-methylbenzene-1,2-diol
CID 158712110
2-ethyl-6-(2,4,6-trimethylphenyl)phenol
CID 132576602
2-(2-aminopropyl)-6-ethylphenol
CID 83875214
1-bromo-3-(3-ethyl-2-hydroxyphenyl)propan-2-one
CID 134616596
2,6-di(nonyl)phenol;4-methylphenol
CID 159290402
2-ethyl-6-(4-ethylphenyl)phenol
CID 101302359
2-ethylphenol;1,3-xylene
CID 174948528
ethyl 3-ethyl-2-hydroxybenzoate
CID 101432634
3-ethyl-2-hydroxybenzenesulfonic acid
CID 19033634
1-ethyl-3-fluoro-2-methylbenzene;propane;1,4-xylene
CID 155712803
2-ethyl-6-methylbenzaldehyde;1,4-xylene
CID 143282659

Frequently Asked Questions

What is the IUPAC name of bis(2,6-diethylphenol);1,4-xylene?
The IUPAC name of bis(2,6-diethylphenol);1,4-xylene (CID 160641052) is bis(2,6-diethylphenol);1,4-xylene.
What is the SMILES notation for bis(2,6-diethylphenol);1,4-xylene?
The canonical SMILES for bis(2,6-diethylphenol);1,4-xylene is CCc1cccc(CC)c1O.CCc1cccc(CC)c1O.Cc1ccc(C)cc1.
What is the InChIKey of bis(2,6-diethylphenol);1,4-xylene?
The InChIKey is RJEGBAQZCIHXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H14O.C8H10/c2*1-3-8-6-5-7-9(4-2)10(8)11;1-7-3-5-8(2)6-4-7/h2*5-7,11H,3-4H2,1-2H3;3-6H,1-2H3.
What are the key properties of bis(2,6-diethylphenol);1,4-xylene?
bis(2,6-diethylphenol);1,4-xylene has a molecular weight of 406.61 g/mol, XLogP of 7.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,6-diethylphenol);1,4-xylene is sourced from PubChem (CID 160641052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).