(1S)-1-[4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-1-ol

C17H26O3 — CID 104940314

IUPAC(1S)-1-[4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(OC2CC(C)(C)OC2(C)C)cc1
InChIInChI=1S/C17H26O3/c1-6-14(18)12-7-9-13(10-8-12)19-15-11-16(2,3)20-17(15,4)5/h7-10,14-15,18H,6,11H2,1-5H3/t14-,15?/m0/s1
InChIKeyOQUHCYRXGPHSHN-MLCCFXAWSA-N
MW278.39 g/mol
LogP3.85
Rot. Bonds4

About (1S)-1-[4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-1-ol

(1S)-1-[4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-1-ol (PubChem CID 104940314) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is (1S)-1-[4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-1-ol
PubChem CID104940314
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name(1S)-1-[4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(OC2CC(C)(C)OC2(C)C)cc1
InChIInChI=1S/C17H26O3/c1-6-14(18)12-7-9-13(10-8-12)19-15-11-16(2,3)20-17(15,4)5/h7-10,14-15,18H,6,11H2,1-5H3/t14-,15?/m0/s1
InChIKeyOQUHCYRXGPHSHN-MLCCFXAWSA-N
XLogP3.85
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-1-[4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-1-ol with MolForge

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Related Compounds

1-(4-cyclopropyloxyphenyl)propan-1-ol
CID 114518583
1-[3-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol
CID 114621610
(1R)-1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-ol
CID 64736309
3-[4-(4-chlorobut-1-ynyl)phenoxy]-2,2,5,5-tetramethyloxolane
CID 114623605
2-methyl-4-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid
CID 107671055
1-[2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-1-amine
CID 114621071
(1R)-1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]propan-1-ol
CID 104889581
2-chloro-4-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzenecarboximidamide
CID 102724526
1-[3-fluoro-5-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-2-amine
CID 114623669
N-[[3-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]methyl]propan-2-amine
CID 114621097
1-[4-[1-[4-(1-hydroxypropyl)phenyl]propyl]phenyl]propan-1-ol
CID 174900127
1-[4-bromo-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol
CID 102948479

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-1-ol?
The IUPAC name of (1S)-1-[4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-1-ol (CID 104940314) is (1S)-1-[4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-1-ol?
The canonical SMILES for (1S)-1-[4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-1-ol is CC[C@H](O)c1ccc(OC2CC(C)(C)OC2(C)C)cc1.
What is the InChIKey of (1S)-1-[4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-1-ol?
The InChIKey is OQUHCYRXGPHSHN-MLCCFXAWSA-N. The full InChI is InChI=1S/C17H26O3/c1-6-14(18)12-7-9-13(10-8-12)19-15-11-16(2,3)20-17(15,4)5/h7-10,14-15,18H,6,11H2,1-5H3/t14-,15?/m0/s1.
What are the key properties of (1S)-1-[4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-1-ol?
(1S)-1-[4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-1-ol has a molecular weight of 278.39 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-1-ol is sourced from PubChem (CID 104940314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).