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

C15H22O2 — CID 160627488

IUPAC2-[3-(4-propylphenyl)propoxymethyl]oxirane
SMILESCCCc1ccc(CCCOCC2CO2)cc1
InChIInChI=1S/C15H22O2/c1-2-4-13-6-8-14(9-7-13)5-3-10-16-11-15-12-17-15/h6-9,15H,2-5,10-12H2,1H3
InChIKeyRHMNSCIRXWQLJQ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.99
Rot. Bonds8

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

2-[3-(4-propylphenyl)propoxymethyl]oxirane (PubChem CID 160627488) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[3-(4-propylphenyl)propoxymethyl]oxirane.

Molecular Properties

Compound Name2-[3-(4-propylphenyl)propoxymethyl]oxirane
PubChem CID160627488
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-[3-(4-propylphenyl)propoxymethyl]oxirane
SMILESCCCc1ccc(CCCOCC2CO2)cc1
InChIInChI=1S/C15H22O2/c1-2-4-13-6-8-14(9-7-13)5-3-10-16-11-15-12-17-15/h6-9,15H,2-5,10-12H2,1H3
InChIKeyRHMNSCIRXWQLJQ-UHFFFAOYSA-N
XLogP2.99
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.99
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-[3-(4-ethenylphenyl)propoxymethyl]oxirane
CID 141222806
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
CID 166063430
CID 166063430
2-(pentoxymethyl)oxirane
CID 160890113
2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane
CID 174518537
2-(hexoxymethyl)oxirane;2-(pentoxymethyl)oxirane
CID 159895637
2-(tricosoxymethyl)oxirane
CID 57227005
2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane
CID 71311396
(2S)-2-(octoxymethyl)oxirane
CID 87274801
2-(propoxymethyl)oxirane
CID 18406
2-[(4-decylphenoxy)methyl]oxirane
CID 57169854

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-propylphenyl)propoxymethyl]oxirane?
The IUPAC name of 2-[3-(4-propylphenyl)propoxymethyl]oxirane (CID 160627488) is 2-[3-(4-propylphenyl)propoxymethyl]oxirane.
What is the SMILES notation for 2-[3-(4-propylphenyl)propoxymethyl]oxirane?
The canonical SMILES for 2-[3-(4-propylphenyl)propoxymethyl]oxirane is CCCc1ccc(CCCOCC2CO2)cc1.
What is the InChIKey of 2-[3-(4-propylphenyl)propoxymethyl]oxirane?
The InChIKey is RHMNSCIRXWQLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-2-4-13-6-8-14(9-7-13)5-3-10-16-11-15-12-17-15/h6-9,15H,2-5,10-12H2,1H3.
What are the key properties of 2-[3-(4-propylphenyl)propoxymethyl]oxirane?
2-[3-(4-propylphenyl)propoxymethyl]oxirane has a molecular weight of 234.34 g/mol, XLogP of 2.99, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-propylphenyl)propoxymethyl]oxirane is sourced from PubChem (CID 160627488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).