2-(3-phenylmethoxyprop-2-enyl)oxirane

C12H14O2 — CID 91184163

IUPAC2-(3-phenylmethoxyprop-2-enyl)oxirane
SMILESC(=COCc1ccccc1)CC1CO1
InChIInChI=1S/C12H14O2/c1-2-5-11(6-3-1)9-13-8-4-7-12-10-14-12/h1-6,8,12H,7,9-10H2
InChIKeyCRCPGUHWALVNGM-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.51
Rot. Bonds5

About 2-(3-phenylmethoxyprop-2-enyl)oxirane

2-(3-phenylmethoxyprop-2-enyl)oxirane (PubChem CID 91184163) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-(3-phenylmethoxyprop-2-enyl)oxirane.

Molecular Properties

Compound Name2-(3-phenylmethoxyprop-2-enyl)oxirane
PubChem CID91184163
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name2-(3-phenylmethoxyprop-2-enyl)oxirane
SMILESC(=COCc1ccccc1)CC1CO1
InChIInChI=1S/C12H14O2/c1-2-5-11(6-3-1)9-13-8-4-7-12-10-14-12/h1-6,8,12H,7,9-10H2
InChIKeyCRCPGUHWALVNGM-UHFFFAOYSA-N
XLogP2.51
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

[(E)-3-fluoroprop-1-enoxy]methylbenzene
CID 143459033
3-phenylmethoxyprop-2-enylsilane
CID 173015897
oxiran-2-ylmethanol;phenylmethoxymethylbenzene
CID 87861777
3-[(Z)-4-phenylmethoxybut-3-enyl]cyclobutan-1-one
CID 143485554
(2R)-2-(phenylmethoxymethoxymethyl)oxirane
CID 129387534
1,3,5-trimethyl-2-[(E)-3-phenylmethoxyprop-2-enyl]benzene
CID 11346163
2-(chloromethyl)oxirane;phenylmethanol;2-(phenylmethoxymethyl)oxirane
CID 163898082
oxolane;(2R)-2-(phenylmethoxymethyl)oxirane
CID 175076963
(3S,6R)-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol
CID 11275756
benzyl oxiran-2-ylmethyl carbonate
CID 88672245
ethoxymethylbenzene;oxiran-2-ylmethanol
CID 174298824
(2S,4S)-4-phenylmethoxy-2-prop-2-enyloxolane
CID 134931553

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylmethoxyprop-2-enyl)oxirane?
The IUPAC name of 2-(3-phenylmethoxyprop-2-enyl)oxirane (CID 91184163) is 2-(3-phenylmethoxyprop-2-enyl)oxirane.
What is the SMILES notation for 2-(3-phenylmethoxyprop-2-enyl)oxirane?
The canonical SMILES for 2-(3-phenylmethoxyprop-2-enyl)oxirane is C(=COCc1ccccc1)CC1CO1.
What is the InChIKey of 2-(3-phenylmethoxyprop-2-enyl)oxirane?
The InChIKey is CRCPGUHWALVNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-2-5-11(6-3-1)9-13-8-4-7-12-10-14-12/h1-6,8,12H,7,9-10H2.
What are the key properties of 2-(3-phenylmethoxyprop-2-enyl)oxirane?
2-(3-phenylmethoxyprop-2-enyl)oxirane has a molecular weight of 190.24 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylmethoxyprop-2-enyl)oxirane is sourced from PubChem (CID 91184163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).