3-[2-(2,4,5-trimethylphenoxy)ethoxy]phenol

C17H20O3 — CID 39371634

IUPAC3-[2-(2,4,5-trimethylphenoxy)ethoxy]phenol
SMILESCc1cc(C)c(OCCOc2cccc(O)c2)cc1C
InChIInChI=1S/C17H20O3/c1-12-9-14(3)17(10-13(12)2)20-8-7-19-16-6-4-5-15(18)11-16/h4-6,9-11,18H,7-8H2,1-3H3
InChIKeyPVGNXHBLWIWTTJ-UHFFFAOYSA-N
MW272.34 g/mol
LogP3.78
Rot. Bonds5

About 3-[2-(2,4,5-trimethylphenoxy)ethoxy]phenol

3-[2-(2,4,5-trimethylphenoxy)ethoxy]phenol (PubChem CID 39371634) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is 3-[2-(2,4,5-trimethylphenoxy)ethoxy]phenol.

Molecular Properties

Compound Name3-[2-(2,4,5-trimethylphenoxy)ethoxy]phenol
PubChem CID39371634
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name3-[2-(2,4,5-trimethylphenoxy)ethoxy]phenol
SMILESCc1cc(C)c(OCCOc2cccc(O)c2)cc1C
InChIInChI=1S/C17H20O3/c1-12-9-14(3)17(10-13(12)2)20-8-7-19-16-6-4-5-15(18)11-16/h4-6,9-11,18H,7-8H2,1-3H3
InChIKeyPVGNXHBLWIWTTJ-UHFFFAOYSA-N
XLogP3.78
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.78
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-methoxyphenoxy)ethoxy]phenol
CID 39360613
3-[2-(2,6-dimethylphenoxy)ethoxy]phenol
CID 39359626
3-[2-(3-bromophenoxy)ethoxy]phenol
CID 39445112
3-[2-(methylamino)ethoxy]phenol
CID 83619980
3-dodecoxyphenol
CID 15719132
3-[4-(2-methylphenyl)butoxy]phenol
CID 175374188
3-(3-fluorobutoxy)phenol
CID 84659596
3-(2-ethylsulfonylethoxy)phenol
CID 43808006
3-(3-methoxy-3-methylbutoxy)phenol
CID 59527181
ethyl 3-(3-hydroxyphenoxy)propanoate
CID 156769963
3-(3-hydroxyphenoxy)propanal
CID 84765037
3-[(2-methoxy-5-methylphenyl)methoxy]phenol
CID 62159960

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4,5-trimethylphenoxy)ethoxy]phenol?
The IUPAC name of 3-[2-(2,4,5-trimethylphenoxy)ethoxy]phenol (CID 39371634) is 3-[2-(2,4,5-trimethylphenoxy)ethoxy]phenol.
What is the SMILES notation for 3-[2-(2,4,5-trimethylphenoxy)ethoxy]phenol?
The canonical SMILES for 3-[2-(2,4,5-trimethylphenoxy)ethoxy]phenol is Cc1cc(C)c(OCCOc2cccc(O)c2)cc1C.
What is the InChIKey of 3-[2-(2,4,5-trimethylphenoxy)ethoxy]phenol?
The InChIKey is PVGNXHBLWIWTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3/c1-12-9-14(3)17(10-13(12)2)20-8-7-19-16-6-4-5-15(18)11-16/h4-6,9-11,18H,7-8H2,1-3H3.
What are the key properties of 3-[2-(2,4,5-trimethylphenoxy)ethoxy]phenol?
3-[2-(2,4,5-trimethylphenoxy)ethoxy]phenol has a molecular weight of 272.34 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4,5-trimethylphenoxy)ethoxy]phenol is sourced from PubChem (CID 39371634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).