(2R)-2-(2,4-dichlorophenyl)-2-propan-2-yloxirane

C11H12Cl2O — CID 173217584

IUPAC(2R)-2-(2,4-dichlorophenyl)-2-propan-2-yloxirane
SMILESCC(C)[C@@]1(c2ccc(Cl)cc2Cl)CO1
InChIInChI=1S/C11H12Cl2O/c1-7(2)11(6-14-11)9-4-3-8(12)5-10(9)13/h3-5,7H,6H2,1-2H3/t11-/m1/s1
InChIKeyTWTIIBPGGNCZLG-LLVKDONJSA-N
MW231.12 g/mol
LogP3.87
Rot. Bonds2

About (2R)-2-(2,4-dichlorophenyl)-2-propan-2-yloxirane

(2R)-2-(2,4-dichlorophenyl)-2-propan-2-yloxirane (PubChem CID 173217584) has the molecular formula C11H12Cl2O and a molecular weight of 231.12 g/mol. Its IUPAC name is (2R)-2-(2,4-dichlorophenyl)-2-propan-2-yloxirane.

Molecular Properties

Compound Name(2R)-2-(2,4-dichlorophenyl)-2-propan-2-yloxirane
PubChem CID173217584
Molecular FormulaC11H12Cl2O
Molecular Weight231.12 g/mol
Exact Mass230.03
IUPAC Name(2R)-2-(2,4-dichlorophenyl)-2-propan-2-yloxirane
SMILESCC(C)[C@@]1(c2ccc(Cl)cc2Cl)CO1
InChIInChI=1S/C11H12Cl2O/c1-7(2)11(6-14-11)9-4-3-8(12)5-10(9)13/h3-5,7H,6H2,1-2H3/t11-/m1/s1
InChIKeyTWTIIBPGGNCZLG-LLVKDONJSA-N
XLogP3.87
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.12
LogP ≤ 53.87
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

2-(2,4-dichlorophenyl)-2-(1-fluoroethyl)oxirane
CID 86098371
2-(2,4-dichlorophenyl)-4-ethyl-2-propan-2-yl-1,3-dioxolane
CID 164706205
2-(2,4-dichlorophenyl)-2-(trifluoromethyl)oxirane
CID 86097385
3-(2,4-dichlorophenyl)oxetan-3-ol
CID 83690306
(2S)-3-[(4R)-4-(2,4-dichlorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-ol
CID 57054505
2-(chloromethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane;ethane
CID 143933612
[1-(2,4-dichlorophenyl)-3-propan-2-ylcyclobutyl]methanamine
CID 65017030
2-[2-(2,4-dichlorophenyl)oxiran-2-yl]-N-methoxy-2-methylpropan-1-imine
CID 54113833
N-[[1-(2,4-dichlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 55195361
2-(5-chloro-2-fluorophenyl)-2-methyloxirane
CID 82468551
[2-(2,4-dichlorophenyl)-4-methyl-1,3-dioxolan-2-yl]methanamine
CID 142628137
1-[[2-(2,4-dichlorophenyl)oxiran-2-yl]methyl]imidazole
CID 2783908

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-dichlorophenyl)-2-propan-2-yloxirane?
The IUPAC name of (2R)-2-(2,4-dichlorophenyl)-2-propan-2-yloxirane (CID 173217584) is (2R)-2-(2,4-dichlorophenyl)-2-propan-2-yloxirane.
What is the SMILES notation for (2R)-2-(2,4-dichlorophenyl)-2-propan-2-yloxirane?
The canonical SMILES for (2R)-2-(2,4-dichlorophenyl)-2-propan-2-yloxirane is CC(C)[C@@]1(c2ccc(Cl)cc2Cl)CO1.
What is the InChIKey of (2R)-2-(2,4-dichlorophenyl)-2-propan-2-yloxirane?
The InChIKey is TWTIIBPGGNCZLG-LLVKDONJSA-N. The full InChI is InChI=1S/C11H12Cl2O/c1-7(2)11(6-14-11)9-4-3-8(12)5-10(9)13/h3-5,7H,6H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-2-(2,4-dichlorophenyl)-2-propan-2-yloxirane?
(2R)-2-(2,4-dichlorophenyl)-2-propan-2-yloxirane has a molecular weight of 231.12 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4-dichlorophenyl)-2-propan-2-yloxirane is sourced from PubChem (CID 173217584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).