3-phenoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol

C17H26O3 — CID 114622577

IUPAC3-phenoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol
SMILESCC1(C)CC(C(O)CCOc2ccccc2)C(C)(C)O1
InChIInChI=1S/C17H26O3/c1-16(2)12-14(17(3,4)20-16)15(18)10-11-19-13-8-6-5-7-9-13/h5-9,14-15,18H,10-12H2,1-4H3
InChIKeyZREIBICEAWUNDV-UHFFFAOYSA-N
MW278.39 g/mol
LogP3.41
Rot. Bonds5

About 3-phenoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol

3-phenoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol (PubChem CID 114622577) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is 3-phenoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-phenoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol
PubChem CID114622577
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name3-phenoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol
SMILESCC1(C)CC(C(O)CCOc2ccccc2)C(C)(C)O1
InChIInChI=1S/C17H26O3/c1-16(2)12-14(17(3,4)20-16)15(18)10-11-19-13-8-6-5-7-9-13/h5-9,14-15,18H,10-12H2,1-4H3
InChIKeyZREIBICEAWUNDV-UHFFFAOYSA-N
XLogP3.41
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-pyridin-4-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol
CID 105131997
2-ethoxy-2-phenyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 114622770
1-cycloheptyl-3-phenoxypropan-1-ol
CID 82931193
1-(oxolan-3-yl)-3-phenoxypropan-1-ol
CID 63565308
2-(4-chlorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 114622580
1,5-diphenoxypentan-3-ol
CID 5314309
1-(5-oxaspiro[3.5]nonan-8-yl)-3-phenoxypropan-1-ol
CID 79921809
(2-ethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623421
(3R)-1-phenoxyhexan-3-ol
CID 102063151
(2-cyclopropylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622122
(4S)-4-benzyl-3-[(2S)-2-hydroxy-4-phenoxybutanoyl]-5,5-dimethyl-1,3-oxazolidin-2-one
CID 102222881
2-(tert-butylamino)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 114624352

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol?
The IUPAC name of 3-phenoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol (CID 114622577) is 3-phenoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol.
What is the SMILES notation for 3-phenoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol?
The canonical SMILES for 3-phenoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol is CC1(C)CC(C(O)CCOc2ccccc2)C(C)(C)O1.
What is the InChIKey of 3-phenoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol?
The InChIKey is ZREIBICEAWUNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-16(2)12-14(17(3,4)20-16)15(18)10-11-19-13-8-6-5-7-9-13/h5-9,14-15,18H,10-12H2,1-4H3.
What are the key properties of 3-phenoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol?
3-phenoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol has a molecular weight of 278.39 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol is sourced from PubChem (CID 114622577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).