[(2R)-2-(2-butan-2-ylphenyl)oxiran-2-yl]methanol

C13H18O2 — CID 141322259

IUPAC[(2R)-2-(2-butan-2-ylphenyl)oxiran-2-yl]methanol
SMILESCCC(C)c1ccccc1[C@@]1(CO)CO1
InChIInChI=1S/C13H18O2/c1-3-10(2)11-6-4-5-7-12(11)13(8-14)9-15-13/h4-7,10,14H,3,8-9H2,1-2H3/t10?,13-/m1/s1
InChIKeyLWKSYOQOZCNRFO-JLOHTSLTSA-N
MW206.28 g/mol
LogP2.42
Rot. Bonds4

About [(2R)-2-(2-butan-2-ylphenyl)oxiran-2-yl]methanol

[(2R)-2-(2-butan-2-ylphenyl)oxiran-2-yl]methanol (PubChem CID 141322259) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is [(2R)-2-(2-butan-2-ylphenyl)oxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-2-(2-butan-2-ylphenyl)oxiran-2-yl]methanol
PubChem CID141322259
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name[(2R)-2-(2-butan-2-ylphenyl)oxiran-2-yl]methanol
SMILESCCC(C)c1ccccc1[C@@]1(CO)CO1
InChIInChI=1S/C13H18O2/c1-3-10(2)11-6-4-5-7-12(11)13(8-14)9-15-13/h4-7,10,14H,3,8-9H2,1-2H3/t10?,13-/m1/s1
InChIKeyLWKSYOQOZCNRFO-JLOHTSLTSA-N
XLogP2.42
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
2-butan-2-ylphenol;formaldehyde
CID 66765994
1-butan-2-yl-2-propan-2-ylbenzene;ethane
CID 143715642
benzene;2,3-di(butan-2-yl)phenol
CID 67178643
(2-butan-2-ylphenyl)-trimethylsilane
CID 140917307
2-(2-butan-2-ylphenyl)-3-oxo-3-sulfanylpropanoic acid
CID 54408564
N-[2-[(2S)-butan-2-yl]phenyl]-3,3-dimethylbutanamide
CID 94840429
4-butan-2-yl-9,9-dimethylfluorene
CID 145292026
1-butan-2-yl-2-[(2-butan-2-ylphenyl)disulfanyl]benzene
CID 87179249
(2R)-2-acetamido-N-[2-[(2S)-butan-2-yl]phenyl]propanamide
CID 8894212
N-[2-[(2R)-butan-2-yl]phenyl]benzamide
CID 849169
N-(2-butan-2-ylphenyl)pentan-2-imine
CID 177056586

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(2-butan-2-ylphenyl)oxiran-2-yl]methanol?
The IUPAC name of [(2R)-2-(2-butan-2-ylphenyl)oxiran-2-yl]methanol (CID 141322259) is [(2R)-2-(2-butan-2-ylphenyl)oxiran-2-yl]methanol.
What is the SMILES notation for [(2R)-2-(2-butan-2-ylphenyl)oxiran-2-yl]methanol?
The canonical SMILES for [(2R)-2-(2-butan-2-ylphenyl)oxiran-2-yl]methanol is CCC(C)c1ccccc1[C@@]1(CO)CO1.
What is the InChIKey of [(2R)-2-(2-butan-2-ylphenyl)oxiran-2-yl]methanol?
The InChIKey is LWKSYOQOZCNRFO-JLOHTSLTSA-N. The full InChI is InChI=1S/C13H18O2/c1-3-10(2)11-6-4-5-7-12(11)13(8-14)9-15-13/h4-7,10,14H,3,8-9H2,1-2H3/t10?,13-/m1/s1.
What are the key properties of [(2R)-2-(2-butan-2-ylphenyl)oxiran-2-yl]methanol?
[(2R)-2-(2-butan-2-ylphenyl)oxiran-2-yl]methanol has a molecular weight of 206.28 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(2-butan-2-ylphenyl)oxiran-2-yl]methanol is sourced from PubChem (CID 141322259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).