3-[2-(2,6-dimethylphenoxy)ethoxy]phenol

C16H18O3 — CID 39359626

IUPAC3-[2-(2,6-dimethylphenoxy)ethoxy]phenol
SMILESCc1cccc(C)c1OCCOc1cccc(O)c1
InChIInChI=1S/C16H18O3/c1-12-5-3-6-13(2)16(12)19-10-9-18-15-8-4-7-14(17)11-15/h3-8,11,17H,9-10H2,1-2H3
InChIKeyZHYFBOTWNKZCEQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.47
Rot. Bonds5

About 3-[2-(2,6-dimethylphenoxy)ethoxy]phenol

3-[2-(2,6-dimethylphenoxy)ethoxy]phenol (PubChem CID 39359626) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[2-(2,6-dimethylphenoxy)ethoxy]phenol.

Molecular Properties

Compound Name3-[2-(2,6-dimethylphenoxy)ethoxy]phenol
PubChem CID39359626
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name3-[2-(2,6-dimethylphenoxy)ethoxy]phenol
SMILESCc1cccc(C)c1OCCOc1cccc(O)c1
InChIInChI=1S/C16H18O3/c1-12-5-3-6-13(2)16(12)19-10-9-18-15-8-4-7-14(17)11-15/h3-8,11,17H,9-10H2,1-2H3
InChIKeyZHYFBOTWNKZCEQ-UHFFFAOYSA-N
XLogP3.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(2,4,5-trimethylphenoxy)ethoxy]phenol
CID 39371634
1,3-dimethyl-2-(2-phenoxyethoxy)benzene
CID 78906435
3-[4-(2-methylphenyl)butoxy]phenol
CID 175374188
3-[2-(3-bromophenoxy)ethoxy]phenol
CID 39445112
3-[2-(methylamino)ethoxy]phenol
CID 83619980
3-dodecoxyphenol
CID 15719132
3-[2-(2-methoxyphenoxy)ethoxy]phenol
CID 39360613
3-[3-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]propanoic acid
CID 20993456
[3-[3-(2,6-dimethylphenoxy)propoxy]phenyl]methanamine
CID 43254018
2-[(3-hydroxyphenoxy)methyl]-6-methylbenzoate
CID 22241290
3-(2-ethylsulfonylethoxy)phenol
CID 43808006
3-(3-fluorobutoxy)phenol
CID 84659596

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,6-dimethylphenoxy)ethoxy]phenol?
The IUPAC name of 3-[2-(2,6-dimethylphenoxy)ethoxy]phenol (CID 39359626) is 3-[2-(2,6-dimethylphenoxy)ethoxy]phenol.
What is the SMILES notation for 3-[2-(2,6-dimethylphenoxy)ethoxy]phenol?
The canonical SMILES for 3-[2-(2,6-dimethylphenoxy)ethoxy]phenol is Cc1cccc(C)c1OCCOc1cccc(O)c1.
What is the InChIKey of 3-[2-(2,6-dimethylphenoxy)ethoxy]phenol?
The InChIKey is ZHYFBOTWNKZCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-12-5-3-6-13(2)16(12)19-10-9-18-15-8-4-7-14(17)11-15/h3-8,11,17H,9-10H2,1-2H3.
What are the key properties of 3-[2-(2,6-dimethylphenoxy)ethoxy]phenol?
3-[2-(2,6-dimethylphenoxy)ethoxy]phenol has a molecular weight of 258.32 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,6-dimethylphenoxy)ethoxy]phenol is sourced from PubChem (CID 39359626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).