2-[2-(2-methylpropoxy)ethoxy]-1-phenylpropan-1-ol

C15H24O3 — CID 106448681

IUPAC2-[2-(2-methylpropoxy)ethoxy]-1-phenylpropan-1-ol
SMILESCC(C)COCCOC(C)C(O)c1ccccc1
InChIInChI=1S/C15H24O3/c1-12(2)11-17-9-10-18-13(3)15(16)14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3
InChIKeyKYZGJOILGMVKNE-UHFFFAOYSA-N
MW252.35 g/mol
LogP2.80
Rot. Bonds8

About 2-[2-(2-methylpropoxy)ethoxy]-1-phenylpropan-1-ol

2-[2-(2-methylpropoxy)ethoxy]-1-phenylpropan-1-ol (PubChem CID 106448681) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 2-[2-(2-methylpropoxy)ethoxy]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[2-(2-methylpropoxy)ethoxy]-1-phenylpropan-1-ol
PubChem CID106448681
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name2-[2-(2-methylpropoxy)ethoxy]-1-phenylpropan-1-ol
SMILESCC(C)COCCOC(C)C(O)c1ccccc1
InChIInChI=1S/C15H24O3/c1-12(2)11-17-9-10-18-13(3)15(16)14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3
InChIKeyKYZGJOILGMVKNE-UHFFFAOYSA-N
XLogP2.80
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.80
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-(3,3-dimethylbutoxy)-1-phenylpropan-1-ol
CID 66225387
2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]-2-phenylethyl]propan-1-amine
CID 106450104
2-(2-methylpropoxy)ethyl (2S)-2-amino-2-phenylacetate
CID 106448098
2-(cyclohexylmethoxy)-1-phenylpropan-1-ol
CID 62383236
(1S)-1-[2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanol
CID 106453765
2-(2-methylpropoxy)ethyl benzenesulfonate
CID 139894281
1-[2-[1-phenyl-2-(3-phenylpropoxy)ethoxy]ethoxy]propan-2-ol
CID 58479078
N-tert-butyl-4-(2-methylpropoxy)-2-phenylbutan-1-amine
CID 106457005
benzene-1,2-diol;2-methyl-1-(2-methylpropoxy)propane
CID 175551749
(2S)-2-chloro-1-phenylpropan-1-ol
CID 146730708
2-(oxan-4-ylmethoxy)-1-phenylpropan-1-ol
CID 62383931
1-[2-(2-methylpropoxy)ethoxy]-3-phenylpropan-2-one
CID 106448309

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpropoxy)ethoxy]-1-phenylpropan-1-ol?
The IUPAC name of 2-[2-(2-methylpropoxy)ethoxy]-1-phenylpropan-1-ol (CID 106448681) is 2-[2-(2-methylpropoxy)ethoxy]-1-phenylpropan-1-ol.
What is the SMILES notation for 2-[2-(2-methylpropoxy)ethoxy]-1-phenylpropan-1-ol?
The canonical SMILES for 2-[2-(2-methylpropoxy)ethoxy]-1-phenylpropan-1-ol is CC(C)COCCOC(C)C(O)c1ccccc1.
What is the InChIKey of 2-[2-(2-methylpropoxy)ethoxy]-1-phenylpropan-1-ol?
The InChIKey is KYZGJOILGMVKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-12(2)11-17-9-10-18-13(3)15(16)14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3.
What are the key properties of 2-[2-(2-methylpropoxy)ethoxy]-1-phenylpropan-1-ol?
2-[2-(2-methylpropoxy)ethoxy]-1-phenylpropan-1-ol has a molecular weight of 252.35 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpropoxy)ethoxy]-1-phenylpropan-1-ol is sourced from PubChem (CID 106448681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).