ethyl 2-[3-(4-methoxyphenyl)propyl]oxirane-2-carboxylate

C15H20O4 — CID 12932115

IUPACethyl 2-[3-(4-methoxyphenyl)propyl]oxirane-2-carboxylate
SMILESCCOC(=O)C1(CCCc2ccc(OC)cc2)CO1
InChIInChI=1S/C15H20O4/c1-3-18-14(16)15(11-19-15)10-4-5-12-6-8-13(17-2)9-7-12/h6-9H,3-5,10-11H2,1-2H3
InChIKeyOKSXSYMMNNMZQZ-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.35
Rot. Bonds7

About ethyl 2-[3-(4-methoxyphenyl)propyl]oxirane-2-carboxylate

ethyl 2-[3-(4-methoxyphenyl)propyl]oxirane-2-carboxylate (PubChem CID 12932115) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl 2-[3-(4-methoxyphenyl)propyl]oxirane-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-[3-(4-methoxyphenyl)propyl]oxirane-2-carboxylate
PubChem CID12932115
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Nameethyl 2-[3-(4-methoxyphenyl)propyl]oxirane-2-carboxylate
SMILESCCOC(=O)C1(CCCc2ccc(OC)cc2)CO1
InChIInChI=1S/C15H20O4/c1-3-18-14(16)15(11-19-15)10-4-5-12-6-8-13(17-2)9-7-12/h6-9H,3-5,10-11H2,1-2H3
InChIKeyOKSXSYMMNNMZQZ-UHFFFAOYSA-N
XLogP2.35
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(4-methoxyphenyl)propyl]oxirane-2-carboxylate?
The IUPAC name of ethyl 2-[3-(4-methoxyphenyl)propyl]oxirane-2-carboxylate (CID 12932115) is ethyl 2-[3-(4-methoxyphenyl)propyl]oxirane-2-carboxylate.
What is the SMILES notation for ethyl 2-[3-(4-methoxyphenyl)propyl]oxirane-2-carboxylate?
The canonical SMILES for ethyl 2-[3-(4-methoxyphenyl)propyl]oxirane-2-carboxylate is CCOC(=O)C1(CCCc2ccc(OC)cc2)CO1.
What is the InChIKey of ethyl 2-[3-(4-methoxyphenyl)propyl]oxirane-2-carboxylate?
The InChIKey is OKSXSYMMNNMZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-3-18-14(16)15(11-19-15)10-4-5-12-6-8-13(17-2)9-7-12/h6-9H,3-5,10-11H2,1-2H3.
What are the key properties of ethyl 2-[3-(4-methoxyphenyl)propyl]oxirane-2-carboxylate?
ethyl 2-[3-(4-methoxyphenyl)propyl]oxirane-2-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 2.35, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(4-methoxyphenyl)propyl]oxirane-2-carboxylate is sourced from PubChem (CID 12932115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).