(2R)-2-[(E)-1-phenylprop-1-en-2-yl]oxirane

C11H12O — CID 178197611

IUPAC(2R)-2-[(E)-1-phenylprop-1-en-2-yl]oxirane
SMILESC/C(=C\c1ccccc1)[C@@H]1CO1
InChIInChI=1S/C11H12O/c1-9(11-8-12-11)7-10-5-3-2-4-6-10/h2-7,11H,8H2,1H3/b9-7+/t11-/m0/s1
InChIKeyDIHWKAFXFXWGBC-DJYGCBNOSA-N
MW160.22 g/mol
LogP2.49
Rot. Bonds2

About (2R)-2-[(E)-1-phenylprop-1-en-2-yl]oxirane

(2R)-2-[(E)-1-phenylprop-1-en-2-yl]oxirane (PubChem CID 178197611) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is (2R)-2-[(E)-1-phenylprop-1-en-2-yl]oxirane.

Molecular Properties

Compound Name(2R)-2-[(E)-1-phenylprop-1-en-2-yl]oxirane
PubChem CID178197611
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name(2R)-2-[(E)-1-phenylprop-1-en-2-yl]oxirane
SMILESC/C(=C\c1ccccc1)[C@@H]1CO1
InChIInChI=1S/C11H12O/c1-9(11-8-12-11)7-10-5-3-2-4-6-10/h2-7,11H,8H2,1H3/b9-7+/t11-/m0/s1
InChIKeyDIHWKAFXFXWGBC-DJYGCBNOSA-N
XLogP2.49
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.49
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

N-[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]azetidin-3-amine
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propan-2-yl (2S,3R)-3-[(E)-1-phenylprop-1-en-2-yl]oxirane-2-carboxylate
CID 102157745
[(E)-2-[[(E)-1-phenylprop-1-en-2-yl]ditellanyl]prop-1-enyl]benzene
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2-[(4-methyl-5-phenylpent-4-enoxy)methyl]oxirane
CID 174818397
1-(oxiran-2-yl)-7-phenylhepta-2,4,6-trien-1-one
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(Z)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-3-phenylprop-2-en-1-one
CID 7429607
2-nitroprop-1-enylbenzene
CID 12807
trimethyl-[(Z)-1-phenylprop-1-en-2-yl]oxysilane
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CID 10560699
carbon monoxide;iron;2-methylprop-1-enylbenzene
CID 10945570
(E)-N,N-dimethyl-1-phenylprop-1-en-2-amine
CID 12573346

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(E)-1-phenylprop-1-en-2-yl]oxirane?
The IUPAC name of (2R)-2-[(E)-1-phenylprop-1-en-2-yl]oxirane (CID 178197611) is (2R)-2-[(E)-1-phenylprop-1-en-2-yl]oxirane.
What is the SMILES notation for (2R)-2-[(E)-1-phenylprop-1-en-2-yl]oxirane?
The canonical SMILES for (2R)-2-[(E)-1-phenylprop-1-en-2-yl]oxirane is C/C(=C\c1ccccc1)[C@@H]1CO1.
What is the InChIKey of (2R)-2-[(E)-1-phenylprop-1-en-2-yl]oxirane?
The InChIKey is DIHWKAFXFXWGBC-DJYGCBNOSA-N. The full InChI is InChI=1S/C11H12O/c1-9(11-8-12-11)7-10-5-3-2-4-6-10/h2-7,11H,8H2,1H3/b9-7+/t11-/m0/s1.
What are the key properties of (2R)-2-[(E)-1-phenylprop-1-en-2-yl]oxirane?
(2R)-2-[(E)-1-phenylprop-1-en-2-yl]oxirane has a molecular weight of 160.22 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(E)-1-phenylprop-1-en-2-yl]oxirane is sourced from PubChem (CID 178197611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).