2-phenyl-2-(3-prop-1-enoxypropyl)oxirane

C14H18O2 — CID 151187186

IUPAC2-phenyl-2-(3-prop-1-enoxypropyl)oxirane
SMILESCC=COCCCC1(c2ccccc2)CO1
InChIInChI=1S/C14H18O2/c1-2-10-15-11-6-9-14(12-16-14)13-7-4-3-5-8-13/h2-5,7-8,10H,6,9,11-12H2,1H3
InChIKeyNFNZZYHIHXVBIG-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.24
Rot. Bonds6

About 2-phenyl-2-(3-prop-1-enoxypropyl)oxirane

2-phenyl-2-(3-prop-1-enoxypropyl)oxirane (PubChem CID 151187186) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-phenyl-2-(3-prop-1-enoxypropyl)oxirane.

Molecular Properties

Compound Name2-phenyl-2-(3-prop-1-enoxypropyl)oxirane
PubChem CID151187186
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2-phenyl-2-(3-prop-1-enoxypropyl)oxirane
SMILESCC=COCCCC1(c2ccccc2)CO1
InChIInChI=1S/C14H18O2/c1-2-10-15-11-6-9-14(12-16-14)13-7-4-3-5-8-13/h2-5,7-8,10H,6,9,11-12H2,1H3
InChIKeyNFNZZYHIHXVBIG-UHFFFAOYSA-N
XLogP3.24
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(3-prop-1-enoxypropyl)oxirane?
The IUPAC name of 2-phenyl-2-(3-prop-1-enoxypropyl)oxirane (CID 151187186) is 2-phenyl-2-(3-prop-1-enoxypropyl)oxirane.
What is the SMILES notation for 2-phenyl-2-(3-prop-1-enoxypropyl)oxirane?
The canonical SMILES for 2-phenyl-2-(3-prop-1-enoxypropyl)oxirane is CC=COCCCC1(c2ccccc2)CO1.
What is the InChIKey of 2-phenyl-2-(3-prop-1-enoxypropyl)oxirane?
The InChIKey is NFNZZYHIHXVBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-2-10-15-11-6-9-14(12-16-14)13-7-4-3-5-8-13/h2-5,7-8,10H,6,9,11-12H2,1H3.
What are the key properties of 2-phenyl-2-(3-prop-1-enoxypropyl)oxirane?
2-phenyl-2-(3-prop-1-enoxypropyl)oxirane has a molecular weight of 218.30 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(3-prop-1-enoxypropyl)oxirane is sourced from PubChem (CID 151187186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).