2-[(1R)-1-phenylmethoxyethyl]oxirane

C11H14O2 — CID 88860566

IUPAC2-[(1R)-1-phenylmethoxyethyl]oxirane
SMILESC[C@@H](OCc1ccccc1)C1CO1
InChIInChI=1S/C11H14O2/c1-9(11-8-13-11)12-7-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-,11?/m1/s1
InChIKeyHZMPMAWIQIUION-BFHBGLAWSA-N
MW178.23 g/mol
LogP1.99
Rot. Bonds4

About 2-[(1R)-1-phenylmethoxyethyl]oxirane

2-[(1R)-1-phenylmethoxyethyl]oxirane (PubChem CID 88860566) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-[(1R)-1-phenylmethoxyethyl]oxirane.

Molecular Properties

Compound Name2-[(1R)-1-phenylmethoxyethyl]oxirane
PubChem CID88860566
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name2-[(1R)-1-phenylmethoxyethyl]oxirane
SMILESC[C@@H](OCc1ccccc1)C1CO1
InChIInChI=1S/C11H14O2/c1-9(11-8-13-11)12-7-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-,11?/m1/s1
InChIKeyHZMPMAWIQIUION-BFHBGLAWSA-N
XLogP1.99
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(1S,2S)-2-[(2S)-oxiran-2-yl]-1,2-bis(phenylmethoxy)ethyl]oxirane
CID 11313389
[(1S)-1-cyclopropylethoxy]methylbenzene
CID 144674545
2-(2-bromo-1-phenylmethoxyethyl)oxirane
CID 562170
5,5-dimethyl-2-(1-phenylmethoxyethyl)-1,3-dioxane
CID 67722972
2-(3-phenylmethoxybutyl)oxirane
CID 87093258
(2S)-2-[(2R)-1-phenylpropan-2-yl]oxirane
CID 10487206
(4R)-2,2-dimethyl-4-[(1S,2R)-2-[(2R)-oxiran-2-yl]-1,2-bis(phenylmethoxy)ethyl]-1,3-dioxolane
CID 102375766
(2S,5S)-2-[(1S)-1-phenylmethoxyethyl]-5-propan-2-yloxolan-3-one
CID 15360166
(2R)-2-[(1S)-2-[(4-methoxyphenyl)methoxy]-1-phenylmethoxyethyl]oxirane
CID 140633194
2-[1-[2-[1-(oxiran-2-yl)ethoxy]ethoxy]ethyl]oxirane
CID 87443320
[(2R)-3-methylbutan-2-yl]oxymethylbenzene
CID 59976472
1-chloroethoxymethylbenzene
CID 12510706

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-phenylmethoxyethyl]oxirane?
The IUPAC name of 2-[(1R)-1-phenylmethoxyethyl]oxirane (CID 88860566) is 2-[(1R)-1-phenylmethoxyethyl]oxirane.
What is the SMILES notation for 2-[(1R)-1-phenylmethoxyethyl]oxirane?
The canonical SMILES for 2-[(1R)-1-phenylmethoxyethyl]oxirane is C[C@@H](OCc1ccccc1)C1CO1.
What is the InChIKey of 2-[(1R)-1-phenylmethoxyethyl]oxirane?
The InChIKey is HZMPMAWIQIUION-BFHBGLAWSA-N. The full InChI is InChI=1S/C11H14O2/c1-9(11-8-13-11)12-7-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-,11?/m1/s1.
What are the key properties of 2-[(1R)-1-phenylmethoxyethyl]oxirane?
2-[(1R)-1-phenylmethoxyethyl]oxirane has a molecular weight of 178.23 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-phenylmethoxyethyl]oxirane is sourced from PubChem (CID 88860566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).