2-[2-(2-methyl-1-phenylpropoxy)ethoxy]ethanol

C14H22O3 — CID 70556867

IUPAC2-[2-(2-methyl-1-phenylpropoxy)ethoxy]ethanol
SMILESCC(C)C(OCCOCCO)c1ccccc1
InChIInChI=1S/C14H22O3/c1-12(2)14(13-6-4-3-5-7-13)17-11-10-16-9-8-15/h3-7,12,14-15H,8-11H2,1-2H3
InChIKeyOQPVUOOKHMBMQD-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.41
Rot. Bonds8

About 2-[2-(2-methyl-1-phenylpropoxy)ethoxy]ethanol

2-[2-(2-methyl-1-phenylpropoxy)ethoxy]ethanol (PubChem CID 70556867) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[2-(2-methyl-1-phenylpropoxy)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2-methyl-1-phenylpropoxy)ethoxy]ethanol
PubChem CID70556867
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name2-[2-(2-methyl-1-phenylpropoxy)ethoxy]ethanol
SMILESCC(C)C(OCCOCCO)c1ccccc1
InChIInChI=1S/C14H22O3/c1-12(2)14(13-6-4-3-5-7-13)17-11-10-16-9-8-15/h3-7,12,14-15H,8-11H2,1-2H3
InChIKeyOQPVUOOKHMBMQD-UHFFFAOYSA-N
XLogP2.41
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.41
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-[(1R,2S)-2-(benzylamino)-1-phenylpropoxy]ethoxy]ethanol
CID 102206695
2-[(1R)-2-methyl-1-phenylpropoxy]ethanamine
CID 124500369
2-[2-[2-(1-phenylbutoxy)ethoxy]ethoxy]ethanol
CID 139655568
cumene;2-(2-fluoroethoxy)ethanol
CID 142309026
cumene;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 123989591
2-[(2S)-2-phenylpropoxy]ethanol
CID 146643647
(2R,3S)-3-(2-hydroxyethoxy)-2-iodo-3-phenylpropan-1-ol
CID 51051061
2-[2-[2-[2-(3-methylbutan-2-yloxy)ethoxy]ethoxy]ethoxy]ethanol
CID 139963056
2-(2-hydroxyethoxy)ethanol;toluene
CID 157148794
2-[2-(3-methylbutan-2-yloxy)ethoxy]ethanol
CID 87592876
anisole;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 159647110
2-[2-[2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 19893141

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-1-phenylpropoxy)ethoxy]ethanol?
The IUPAC name of 2-[2-(2-methyl-1-phenylpropoxy)ethoxy]ethanol (CID 70556867) is 2-[2-(2-methyl-1-phenylpropoxy)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(2-methyl-1-phenylpropoxy)ethoxy]ethanol?
The canonical SMILES for 2-[2-(2-methyl-1-phenylpropoxy)ethoxy]ethanol is CC(C)C(OCCOCCO)c1ccccc1.
What is the InChIKey of 2-[2-(2-methyl-1-phenylpropoxy)ethoxy]ethanol?
The InChIKey is OQPVUOOKHMBMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-12(2)14(13-6-4-3-5-7-13)17-11-10-16-9-8-15/h3-7,12,14-15H,8-11H2,1-2H3.
What are the key properties of 2-[2-(2-methyl-1-phenylpropoxy)ethoxy]ethanol?
2-[2-(2-methyl-1-phenylpropoxy)ethoxy]ethanol has a molecular weight of 238.33 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyl-1-phenylpropoxy)ethoxy]ethanol is sourced from PubChem (CID 70556867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).