2-[3-(4-ethenylphenyl)propoxymethyl]oxirane

C14H18O2 — CID 141222806

IUPAC2-[3-(4-ethenylphenyl)propoxymethyl]oxirane
SMILESC=Cc1ccc(CCCOCC2CO2)cc1
InChIInChI=1S/C14H18O2/c1-2-12-5-7-13(8-6-12)4-3-9-15-10-14-11-16-14/h2,5-8,14H,1,3-4,9-11H2
InChIKeyPZPUHHZNBYTHOE-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.68
Rot. Bonds7

About 2-[3-(4-ethenylphenyl)propoxymethyl]oxirane

2-[3-(4-ethenylphenyl)propoxymethyl]oxirane (PubChem CID 141222806) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[3-(4-ethenylphenyl)propoxymethyl]oxirane.

Molecular Properties

Compound Name2-[3-(4-ethenylphenyl)propoxymethyl]oxirane
PubChem CID141222806
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2-[3-(4-ethenylphenyl)propoxymethyl]oxirane
SMILESC=Cc1ccc(CCCOCC2CO2)cc1
InChIInChI=1S/C14H18O2/c1-2-12-5-7-13(8-6-12)4-3-9-15-10-14-11-16-14/h2,5-8,14H,1,3-4,9-11H2
InChIKeyPZPUHHZNBYTHOE-UHFFFAOYSA-N
XLogP2.68
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[4-(4-ethenylphenyl)butoxy]ethyl]oxirane
CID 141222856
2-[3-(4-propylphenyl)propoxymethyl]oxirane
CID 160627488
4-[3-(oxiran-2-ylmethoxy)propyl]benzoic acid
CID 150255724
2-[3-[3-[[3,5-bis[3-(oxiran-2-ylmethoxy)propyl]phenyl]methyl]-5-[3-(oxiran-2-ylmethoxy)propyl]phenyl]propoxymethyl]oxirane
CID 175238935
2-(prop-2-enoxymethyl)oxirane;styrene
CID 21400005
bis(2-(methoxymethyl)oxirane);styrene
CID 174797956
2-(methoxymethyl)oxirane;styrene
CID 174459106
3-(4-ethenylphenyl)propoxy-ethoxy-dimethylsilane
CID 140668032
2-(4-prop-2-enoxybutoxymethyl)oxirane
CID 86229247
2-[4-[4-[4-[4-[4-[4-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxymethyl]oxirane
CID 130476685
2-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxymethyl]oxirane
CID 130476668
2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane
CID 172718038

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethenylphenyl)propoxymethyl]oxirane?
The IUPAC name of 2-[3-(4-ethenylphenyl)propoxymethyl]oxirane (CID 141222806) is 2-[3-(4-ethenylphenyl)propoxymethyl]oxirane.
What is the SMILES notation for 2-[3-(4-ethenylphenyl)propoxymethyl]oxirane?
The canonical SMILES for 2-[3-(4-ethenylphenyl)propoxymethyl]oxirane is C=Cc1ccc(CCCOCC2CO2)cc1.
What is the InChIKey of 2-[3-(4-ethenylphenyl)propoxymethyl]oxirane?
The InChIKey is PZPUHHZNBYTHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-2-12-5-7-13(8-6-12)4-3-9-15-10-14-11-16-14/h2,5-8,14H,1,3-4,9-11H2.
What are the key properties of 2-[3-(4-ethenylphenyl)propoxymethyl]oxirane?
2-[3-(4-ethenylphenyl)propoxymethyl]oxirane has a molecular weight of 218.30 g/mol, XLogP of 2.68, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethenylphenyl)propoxymethyl]oxirane is sourced from PubChem (CID 141222806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).