(2R,5R)-5-[(1R)-1-(4-tert-butylphenyl)ethyl]-2-methyl-2-phenyloxolane

C23H30O — CID 101398623

IUPAC(2R,5R)-5-[(1R)-1-(4-tert-butylphenyl)ethyl]-2-methyl-2-phenyloxolane
SMILESC[C@H](c1ccc(C(C)(C)C)cc1)[C@H]1CC[C@](C)(c2ccccc2)O1
InChIInChI=1S/C23H30O/c1-17(18-11-13-19(14-12-18)22(2,3)4)21-15-16-23(5,24-21)20-9-7-6-8-10-20/h6-14,17,21H,15-16H2,1-5H3/t17-,21-,23-/m1/s1
InChIKeyBMIHYIFELOJVLM-ODOSVJCGSA-N
MW322.49 g/mol
LogP6.18
Rot. Bonds3

About (2R,5R)-5-[(1R)-1-(4-tert-butylphenyl)ethyl]-2-methyl-2-phenyloxolane

(2R,5R)-5-[(1R)-1-(4-tert-butylphenyl)ethyl]-2-methyl-2-phenyloxolane (PubChem CID 101398623) has the molecular formula C23H30O and a molecular weight of 322.49 g/mol. Its IUPAC name is (2R,5R)-5-[(1R)-1-(4-tert-butylphenyl)ethyl]-2-methyl-2-phenyloxolane.

Molecular Properties

Compound Name(2R,5R)-5-[(1R)-1-(4-tert-butylphenyl)ethyl]-2-methyl-2-phenyloxolane
PubChem CID101398623
Molecular FormulaC23H30O
Molecular Weight322.49 g/mol
Exact Mass322.23
IUPAC Name(2R,5R)-5-[(1R)-1-(4-tert-butylphenyl)ethyl]-2-methyl-2-phenyloxolane
SMILESC[C@H](c1ccc(C(C)(C)C)cc1)[C@H]1CC[C@](C)(c2ccccc2)O1
InChIInChI=1S/C23H30O/c1-17(18-11-13-19(14-12-18)22(2,3)4)21-15-16-23(5,24-21)20-9-7-6-8-10-20/h6-14,17,21H,15-16H2,1-5H3/t17-,21-,23-/m1/s1
InChIKeyBMIHYIFELOJVLM-ODOSVJCGSA-N
XLogP6.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.49
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-tert-butylphenyl)-(4,4-difluorocyclohexyl)methanol
CID 105091802
2-[1-(4-tert-butylphenyl)ethyl]-4,4,5,5-tetramethyl-1,3,2λ5-dioxaphospholane 2-oxide
CID 102511213
(3R)-6-(2-hydroperoxypropan-2-yl)-3-methyl-3-phenyldioxane
CID 134928493
6-(2-hydroperoxypropan-2-yl)-3-methyl-3-phenyldioxane
CID 11149419
1-tert-butyl-4-(4-propan-2-ylphenyl)benzene;ethane
CID 159065709
1-tert-butyl-4-propan-2-ylbenzene;cumene;1-methyl-1-(2-methylpropyl)cyclopropane;1-methyl-1-propan-2-ylcyclopropane;propan-2-ylcyclopropane
CID 160501995
(2S)-2-[(1S)-1-phenylethyl]oxolane
CID 118374007
3-(1-phenylethyl)dioxolane
CID 19709455
(2S)-2-methyl-2-phenyloxirane
CID 11629614
(1R)-1-(4-tert-butylphenyl)ethanol
CID 6990572
bicyclo[2.2.0]hexane;tert-butylbenzene
CID 174393348
(4-tert-butylphenyl)-(2,2-dimethylcyclopentyl)methanamine
CID 107177014

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-[(1R)-1-(4-tert-butylphenyl)ethyl]-2-methyl-2-phenyloxolane?
The IUPAC name of (2R,5R)-5-[(1R)-1-(4-tert-butylphenyl)ethyl]-2-methyl-2-phenyloxolane (CID 101398623) is (2R,5R)-5-[(1R)-1-(4-tert-butylphenyl)ethyl]-2-methyl-2-phenyloxolane.
What is the SMILES notation for (2R,5R)-5-[(1R)-1-(4-tert-butylphenyl)ethyl]-2-methyl-2-phenyloxolane?
The canonical SMILES for (2R,5R)-5-[(1R)-1-(4-tert-butylphenyl)ethyl]-2-methyl-2-phenyloxolane is C[C@H](c1ccc(C(C)(C)C)cc1)[C@H]1CC[C@](C)(c2ccccc2)O1.
What is the InChIKey of (2R,5R)-5-[(1R)-1-(4-tert-butylphenyl)ethyl]-2-methyl-2-phenyloxolane?
The InChIKey is BMIHYIFELOJVLM-ODOSVJCGSA-N. The full InChI is InChI=1S/C23H30O/c1-17(18-11-13-19(14-12-18)22(2,3)4)21-15-16-23(5,24-21)20-9-7-6-8-10-20/h6-14,17,21H,15-16H2,1-5H3/t17-,21-,23-/m1/s1.
What are the key properties of (2R,5R)-5-[(1R)-1-(4-tert-butylphenyl)ethyl]-2-methyl-2-phenyloxolane?
(2R,5R)-5-[(1R)-1-(4-tert-butylphenyl)ethyl]-2-methyl-2-phenyloxolane has a molecular weight of 322.49 g/mol, XLogP of 6.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-[(1R)-1-(4-tert-butylphenyl)ethyl]-2-methyl-2-phenyloxolane is sourced from PubChem (CID 101398623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).