2-[2-(2,3,5-trimethylphenoxy)ethoxy]ethanol

C13H20O3 — CID 61076408

IUPAC2-[2-(2,3,5-trimethylphenoxy)ethoxy]ethanol
SMILESCc1cc(C)c(C)c(OCCOCCO)c1
InChIInChI=1S/C13H20O3/c1-10-8-11(2)12(3)13(9-10)16-7-6-15-5-4-14/h8-9,14H,4-7H2,1-3H3
InChIKeyFKRVVMZPLZXCQG-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.00
Rot. Bonds6

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

2-[2-(2,3,5-trimethylphenoxy)ethoxy]ethanol (PubChem CID 61076408) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-[2-(2,3,5-trimethylphenoxy)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2,3,5-trimethylphenoxy)ethoxy]ethanol
PubChem CID61076408
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name2-[2-(2,3,5-trimethylphenoxy)ethoxy]ethanol
SMILESCc1cc(C)c(C)c(OCCOCCO)c1
InChIInChI=1S/C13H20O3/c1-10-8-11(2)12(3)13(9-10)16-7-6-15-5-4-14/h8-9,14H,4-7H2,1-3H3
InChIKeyFKRVVMZPLZXCQG-UHFFFAOYSA-N
XLogP2.00
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.00
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

2-[2-[2-[3-[2-[2-(2-azanidylethoxy)ethoxy]ethoxy]-2,5-dimethylphenoxy]ethoxy]ethoxy]ethylazanide;1,2,3,5-tetramethylbenzene
CID 159741840
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4,5-dimethylphenoxy]ethoxy]ethoxy]ethanol
CID 59950660
2-[2-(2-chloro-5-methylphenoxy)ethoxy]ethanol
CID 61075702
6-(2,3,5-trimethylphenoxy)hexane-1-thiol
CID 2304768
2-[2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]ethoxy]ethanol
CID 63650862
2-[2-[2-(1-aminoethyl)-5-methylphenoxy]ethoxy]ethanol
CID 63639091
2-ethoxy-N-[2-(2,3,5-trimethylphenoxy)ethyl]ethanamine
CID 62598558
2-[2-[4,5-diamino-2-[2-(2-hydroxyethoxy)ethoxy]phenoxy]ethoxy]ethanol
CID 163651325
2-[2-[4,5,8-tris[2-(2-hydroxyethoxy)ethoxy]anthracen-1-yl]oxyethoxy]ethanol
CID 89126006
2-(propan-2-ylamino)-4-(2,3,5-trimethylphenoxy)butan-1-ol
CID 64805200
N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2,3,5-trimethylbenzamide
CID 156721380
3-(2,3,5-trimethylphenoxy)propanehydrazide
CID 63575558

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3,5-trimethylphenoxy)ethoxy]ethanol?
The IUPAC name of 2-[2-(2,3,5-trimethylphenoxy)ethoxy]ethanol (CID 61076408) is 2-[2-(2,3,5-trimethylphenoxy)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(2,3,5-trimethylphenoxy)ethoxy]ethanol?
The canonical SMILES for 2-[2-(2,3,5-trimethylphenoxy)ethoxy]ethanol is Cc1cc(C)c(C)c(OCCOCCO)c1.
What is the InChIKey of 2-[2-(2,3,5-trimethylphenoxy)ethoxy]ethanol?
The InChIKey is FKRVVMZPLZXCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-10-8-11(2)12(3)13(9-10)16-7-6-15-5-4-14/h8-9,14H,4-7H2,1-3H3.
What are the key properties of 2-[2-(2,3,5-trimethylphenoxy)ethoxy]ethanol?
2-[2-(2,3,5-trimethylphenoxy)ethoxy]ethanol has a molecular weight of 224.30 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3,5-trimethylphenoxy)ethoxy]ethanol is sourced from PubChem (CID 61076408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).