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

C17H26O2 — CID 114622047

IUPAC3-phenyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol
SMILESCC1(C)CC(C(O)CCc2ccccc2)C(C)(C)O1
InChIInChI=1S/C17H26O2/c1-16(2)12-14(17(3,4)19-16)15(18)11-10-13-8-6-5-7-9-13/h5-9,14-15,18H,10-12H2,1-4H3
InChIKeyJOKXGZZITZNGHQ-UHFFFAOYSA-N
MW262.39 g/mol
LogP3.57
Rot. Bonds4

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

3-phenyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol (PubChem CID 114622047) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 3-phenyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-phenyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol
PubChem CID114622047
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name3-phenyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol
SMILESCC1(C)CC(C(O)CCc2ccccc2)C(C)(C)O1
InChIInChI=1S/C17H26O2/c1-16(2)12-14(17(3,4)19-16)15(18)11-10-13-8-6-5-7-9-13/h5-9,14-15,18H,10-12H2,1-4H3
InChIKeyJOKXGZZITZNGHQ-UHFFFAOYSA-N
XLogP3.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-pyridin-4-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol
CID 105131997
3-phenoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol
CID 114622577
2-(2,6-difluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 115838834
2-(4-chlorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 114622580
3-methylsulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol
CID 114622050
1-(2,2,5,5-tetramethyloxolan-3-yl)decan-1-ol
CID 115838780
2-(3-chloro-2-fluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 114622732
N-ethyl-2-phenyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
CID 114622837
trans-(1R,2S)-1-cyclohexyl-2-[(1R)-1-hydroxy-3-phenylpropyl]cyclopropan-1-ol
CID 101070884
2-ethoxy-2-phenyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 114622770
3,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-ol
CID 114622056
2-cyclopropyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 114622710

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol?
The IUPAC name of 3-phenyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol (CID 114622047) is 3-phenyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol.
What is the SMILES notation for 3-phenyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol?
The canonical SMILES for 3-phenyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol is CC1(C)CC(C(O)CCc2ccccc2)C(C)(C)O1.
What is the InChIKey of 3-phenyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol?
The InChIKey is JOKXGZZITZNGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-16(2)12-14(17(3,4)19-16)15(18)11-10-13-8-6-5-7-9-13/h5-9,14-15,18H,10-12H2,1-4H3.
What are the key properties of 3-phenyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol?
3-phenyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol has a molecular weight of 262.39 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol is sourced from PubChem (CID 114622047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).