4-[[(Z)-2-phenylprop-1-enoxy]methyl]oxane

C15H20O2 — CID 176604802

IUPAC4-[[(Z)-2-phenylprop-1-enoxy]methyl]oxane
SMILESC/C(=C/OCC1CCOCC1)c1ccccc1
InChIInChI=1S/C15H20O2/c1-13(15-5-3-2-4-6-15)11-17-12-14-7-9-16-10-8-14/h2-6,11,14H,7-10,12H2,1H3/b13-11-
InChIKeyNNDNRZVXXVUZFW-QBFSEMIESA-N
MW232.32 g/mol
LogP3.49
Rot. Bonds4

About 4-[[(Z)-2-phenylprop-1-enoxy]methyl]oxane

4-[[(Z)-2-phenylprop-1-enoxy]methyl]oxane (PubChem CID 176604802) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 4-[[(Z)-2-phenylprop-1-enoxy]methyl]oxane.

Molecular Properties

Compound Name4-[[(Z)-2-phenylprop-1-enoxy]methyl]oxane
PubChem CID176604802
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name4-[[(Z)-2-phenylprop-1-enoxy]methyl]oxane
SMILESC/C(=C/OCC1CCOCC1)c1ccccc1
InChIInChI=1S/C15H20O2/c1-13(15-5-3-2-4-6-15)11-17-12-14-7-9-16-10-8-14/h2-6,11,14H,7-10,12H2,1H3/b13-11-
InChIKeyNNDNRZVXXVUZFW-QBFSEMIESA-N
XLogP3.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[(Z)-2-phenylprop-1-enoxy]methyl]-11-thiatricyclo[6.2.1.02,7]undecane
CID 176603843
3-[2-[(Z)-2-phenylprop-1-enoxy]ethyl]thiolane 1-oxide
CID 176604214
2-(oxan-4-ylmethoxy)-1-phenylpropan-1-ol
CID 62383931
oxan-4-ylmethyl (2R)-2-amino-3-phenylpropanoate
CID 104902270
2-[3-[(Z)-2-phenylprop-1-enoxy]propyl]thiocane 1-oxide
CID 176603526
4-(2-phenylprop-1-enyl)morpholine
CID 85373526
2-[3-[(Z)-2-phenylprop-1-enoxy]propyl]thiirane 1-oxide
CID 176603220
2-methyl-2-[2-[(Z)-2-phenylprop-1-enoxy]ethyl]thiirane
CID 176604237
[(3S,3aS,7aR)-3-(oxan-4-ylmethoxy)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-phenylmethanone
CID 97461558
3-ethyl-3-[3-[(Z)-2-phenylprop-1-enoxy]propyl]oxane
CID 176602992
4-(phenylmethoxymethyl)oxepane
CID 151980287
2-(oxan-4-ylmethoxymethyl)benzoic acid
CID 55134340

Frequently Asked Questions

What is the IUPAC name of 4-[[(Z)-2-phenylprop-1-enoxy]methyl]oxane?
The IUPAC name of 4-[[(Z)-2-phenylprop-1-enoxy]methyl]oxane (CID 176604802) is 4-[[(Z)-2-phenylprop-1-enoxy]methyl]oxane.
What is the SMILES notation for 4-[[(Z)-2-phenylprop-1-enoxy]methyl]oxane?
The canonical SMILES for 4-[[(Z)-2-phenylprop-1-enoxy]methyl]oxane is C/C(=C/OCC1CCOCC1)c1ccccc1.
What is the InChIKey of 4-[[(Z)-2-phenylprop-1-enoxy]methyl]oxane?
The InChIKey is NNDNRZVXXVUZFW-QBFSEMIESA-N. The full InChI is InChI=1S/C15H20O2/c1-13(15-5-3-2-4-6-15)11-17-12-14-7-9-16-10-8-14/h2-6,11,14H,7-10,12H2,1H3/b13-11-.
What are the key properties of 4-[[(Z)-2-phenylprop-1-enoxy]methyl]oxane?
4-[[(Z)-2-phenylprop-1-enoxy]methyl]oxane has a molecular weight of 232.32 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(Z)-2-phenylprop-1-enoxy]methyl]oxane is sourced from PubChem (CID 176604802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).