(3R)-2,2-bis(4-tert-butylphenyl)-3-phenyloxirane

C28H32O — CID 102401506

IUPAC(3R)-2,2-bis(4-tert-butylphenyl)-3-phenyloxirane
SMILESCC(C)(C)c1ccc(C2(c3ccc(C(C)(C)C)cc3)O[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C28H32O/c1-26(2,3)21-12-16-23(17-13-21)28(25(29-28)20-10-8-7-9-11-20)24-18-14-22(15-19-24)27(4,5)6/h7-19,25H,1-6H3/t25-/m1/s1
InChIKeyYLOVRJCSJXTIBA-RUZDIDTESA-N
MW384.56 g/mol
LogP7.30
Rot. Bonds3

About (3R)-2,2-bis(4-tert-butylphenyl)-3-phenyloxirane

(3R)-2,2-bis(4-tert-butylphenyl)-3-phenyloxirane (PubChem CID 102401506) has the molecular formula C28H32O and a molecular weight of 384.56 g/mol. Its IUPAC name is (3R)-2,2-bis(4-tert-butylphenyl)-3-phenyloxirane.

Molecular Properties

Compound Name(3R)-2,2-bis(4-tert-butylphenyl)-3-phenyloxirane
PubChem CID102401506
Molecular FormulaC28H32O
Molecular Weight384.56 g/mol
Exact Mass384.25
IUPAC Name(3R)-2,2-bis(4-tert-butylphenyl)-3-phenyloxirane
SMILESCC(C)(C)c1ccc(C2(c3ccc(C(C)(C)C)cc3)O[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C28H32O/c1-26(2,3)21-12-16-23(17-13-21)28(25(29-28)20-10-8-7-9-11-20)24-18-14-22(15-19-24)27(4,5)6/h7-19,25H,1-6H3/t25-/m1/s1
InChIKeyYLOVRJCSJXTIBA-RUZDIDTESA-N
XLogP7.30
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.56
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3'-phenylspiro[indene-2,2'-oxirane]-1,3-dione
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(2R,3R)-2-ethyl-2,3-diphenyloxirane
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tert-butylbenzene;2,2-dimethylpropane;methane
CID 160959011
(4R)-2-[2-[(4R)-5,5-bis(4-methylphenyl)-4-phenyl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-bis(4-methylphenyl)-4-phenyl-4H-1,3-oxazole
CID 66632300
1-(4-tert-butylphenyl)-3,3,4-triphenylazetidin-2-one
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Frequently Asked Questions

What is the IUPAC name of (3R)-2,2-bis(4-tert-butylphenyl)-3-phenyloxirane?
The IUPAC name of (3R)-2,2-bis(4-tert-butylphenyl)-3-phenyloxirane (CID 102401506) is (3R)-2,2-bis(4-tert-butylphenyl)-3-phenyloxirane.
What is the SMILES notation for (3R)-2,2-bis(4-tert-butylphenyl)-3-phenyloxirane?
The canonical SMILES for (3R)-2,2-bis(4-tert-butylphenyl)-3-phenyloxirane is CC(C)(C)c1ccc(C2(c3ccc(C(C)(C)C)cc3)O[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (3R)-2,2-bis(4-tert-butylphenyl)-3-phenyloxirane?
The InChIKey is YLOVRJCSJXTIBA-RUZDIDTESA-N. The full InChI is InChI=1S/C28H32O/c1-26(2,3)21-12-16-23(17-13-21)28(25(29-28)20-10-8-7-9-11-20)24-18-14-22(15-19-24)27(4,5)6/h7-19,25H,1-6H3/t25-/m1/s1.
What are the key properties of (3R)-2,2-bis(4-tert-butylphenyl)-3-phenyloxirane?
(3R)-2,2-bis(4-tert-butylphenyl)-3-phenyloxirane has a molecular weight of 384.56 g/mol, XLogP of 7.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,2-bis(4-tert-butylphenyl)-3-phenyloxirane is sourced from PubChem (CID 102401506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).