methyl [2-[3-(2-phenylethoxy)propyl]oxiran-2-yl] carbonate

C15H20O5 — CID 88707529

IUPACmethyl [2-[3-(2-phenylethoxy)propyl]oxiran-2-yl] carbonate
SMILESCOC(=O)OC1(CCCOCCc2ccccc2)CO1
InChIInChI=1S/C15H20O5/c1-17-14(16)20-15(12-19-15)9-5-10-18-11-8-13-6-3-2-4-7-13/h2-4,6-7H,5,8-12H2,1H3
InChIKeyVSBLYPZGYFXHAX-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.54
Rot. Bonds8

About methyl [2-[3-(2-phenylethoxy)propyl]oxiran-2-yl] carbonate

methyl [2-[3-(2-phenylethoxy)propyl]oxiran-2-yl] carbonate (PubChem CID 88707529) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is methyl [2-[3-(2-phenylethoxy)propyl]oxiran-2-yl] carbonate.

Molecular Properties

Compound Namemethyl [2-[3-(2-phenylethoxy)propyl]oxiran-2-yl] carbonate
PubChem CID88707529
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Namemethyl [2-[3-(2-phenylethoxy)propyl]oxiran-2-yl] carbonate
SMILESCOC(=O)OC1(CCCOCCc2ccccc2)CO1
InChIInChI=1S/C15H20O5/c1-17-14(16)20-15(12-19-15)9-5-10-18-11-8-13-6-3-2-4-7-13/h2-4,6-7H,5,8-12H2,1H3
InChIKeyVSBLYPZGYFXHAX-UHFFFAOYSA-N
XLogP2.54
TPSA57.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

ethyl [2-[2-(4-phenylbutoxy)ethyl]oxiran-2-yl] carbonate
CID 88707237
ethyl [2-(6-phenylhexyl)oxiran-2-yl] carbonate
CID 88740780
N-[6-(2-phenylethoxy)hexyl]acetamide
CID 67657412
propyl 2-[3-(4-phenylbutoxy)propyl]oxirane-2-carboxylate
CID 54252816
2-(2-methoxyethoxy)ethylbenzene
CID 21135488
(2S)-2-amino-N-[3-(2-phenylethoxy)propyl]propanamide
CID 119298276
3-[4-(2-phenylethoxy)butanoylamino]butanoic acid
CID 119220650
2-methyl-3-(methylamino)-N-[3-(2-phenylethoxy)propyl]propanamide;hydrochloride
CID 119739688
(2S)-2-amino-3-methyl-N-[4-(2-phenylethoxy)butyl]butanamide
CID 119293937
2-[methyl-[3-(2-phenylethoxy)propyl]amino]propanoic acid;hydrochloride
CID 119912610
2-pentoxyethylbenzene
CID 3022447
(2R)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[3-(2-phenylethoxy)propyl]propanamide
CID 124830596

Frequently Asked Questions

What is the IUPAC name of methyl [2-[3-(2-phenylethoxy)propyl]oxiran-2-yl] carbonate?
The IUPAC name of methyl [2-[3-(2-phenylethoxy)propyl]oxiran-2-yl] carbonate (CID 88707529) is methyl [2-[3-(2-phenylethoxy)propyl]oxiran-2-yl] carbonate.
What is the SMILES notation for methyl [2-[3-(2-phenylethoxy)propyl]oxiran-2-yl] carbonate?
The canonical SMILES for methyl [2-[3-(2-phenylethoxy)propyl]oxiran-2-yl] carbonate is COC(=O)OC1(CCCOCCc2ccccc2)CO1.
What is the InChIKey of methyl [2-[3-(2-phenylethoxy)propyl]oxiran-2-yl] carbonate?
The InChIKey is VSBLYPZGYFXHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O5/c1-17-14(16)20-15(12-19-15)9-5-10-18-11-8-13-6-3-2-4-7-13/h2-4,6-7H,5,8-12H2,1H3.
What are the key properties of methyl [2-[3-(2-phenylethoxy)propyl]oxiran-2-yl] carbonate?
methyl [2-[3-(2-phenylethoxy)propyl]oxiran-2-yl] carbonate has a molecular weight of 280.32 g/mol, XLogP of 2.54, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [2-[3-(2-phenylethoxy)propyl]oxiran-2-yl] carbonate is sourced from PubChem (CID 88707529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).