2-[(E)-3-phenylmethoxyprop-1-enyl]oxolane

C14H18O2 — CID 102498102

IUPAC2-[(E)-3-phenylmethoxyprop-1-enyl]oxolane
SMILESC(=C/C1CCCO1)\COCc1ccccc1
InChIInChI=1S/C14H18O2/c1-2-6-13(7-3-1)12-15-10-4-8-14-9-5-11-16-14/h1-4,6-8,14H,5,9-12H2/b8-4+
InChIKeyCPFIPDYJELQRBL-XBXARRHUSA-N
MW218.30 g/mol
LogP2.94
Rot. Bonds5

About 2-[(E)-3-phenylmethoxyprop-1-enyl]oxolane

2-[(E)-3-phenylmethoxyprop-1-enyl]oxolane (PubChem CID 102498102) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[(E)-3-phenylmethoxyprop-1-enyl]oxolane.

Molecular Properties

Compound Name2-[(E)-3-phenylmethoxyprop-1-enyl]oxolane
PubChem CID102498102
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2-[(E)-3-phenylmethoxyprop-1-enyl]oxolane
SMILESC(=C/C1CCCO1)\COCc1ccccc1
InChIInChI=1S/C14H18O2/c1-2-6-13(7-3-1)12-15-10-4-8-14-9-5-11-16-14/h1-4,6-8,14H,5,9-12H2/b8-4+
InChIKeyCPFIPDYJELQRBL-XBXARRHUSA-N
XLogP2.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[(E)-3-phenylmethoxyprop-1-enyl]oxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(E)-5-phenylpent-1-enyl]oxane
CID 10242966
(2R)-2-(2-phenylmethoxyethyl)oxolane
CID 71119139
[(E)-4-phenylbut-2-enoxy]methylbenzene
CID 20826226
2-(phenylmethoxymethyl)oxane-3-thiol
CID 14206189
4-[(E)-3-phenylmethoxyprop-1-enyl]piperidine-1-carboxylic acid
CID 67778513
[(Z)-3-chloroprop-2-enoxy]methylbenzene
CID 131246507
[(E)-4-iodobut-2-enoxy]methylbenzene
CID 11055319
3-(oxolan-2-yl)-1-phenylmethoxybut-3-en-2-one
CID 10977746
[(Z)-4-prop-2-enoxybut-2-enoxy]methylbenzene
CID 11053131
(2R)-2-[(Z)-2-phenylethenyl]oxane
CID 135075421
2-(2-phenylmethoxyethyl)oxolane;propane-2,2-diol
CID 156747530
4-phenylmethoxybut-2-enal
CID 56616610

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-phenylmethoxyprop-1-enyl]oxolane?
The IUPAC name of 2-[(E)-3-phenylmethoxyprop-1-enyl]oxolane (CID 102498102) is 2-[(E)-3-phenylmethoxyprop-1-enyl]oxolane.
What is the SMILES notation for 2-[(E)-3-phenylmethoxyprop-1-enyl]oxolane?
The canonical SMILES for 2-[(E)-3-phenylmethoxyprop-1-enyl]oxolane is C(=C/C1CCCO1)\COCc1ccccc1.
What is the InChIKey of 2-[(E)-3-phenylmethoxyprop-1-enyl]oxolane?
The InChIKey is CPFIPDYJELQRBL-XBXARRHUSA-N. The full InChI is InChI=1S/C14H18O2/c1-2-6-13(7-3-1)12-15-10-4-8-14-9-5-11-16-14/h1-4,6-8,14H,5,9-12H2/b8-4+.
What are the key properties of 2-[(E)-3-phenylmethoxyprop-1-enyl]oxolane?
2-[(E)-3-phenylmethoxyprop-1-enyl]oxolane has a molecular weight of 218.30 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-phenylmethoxyprop-1-enyl]oxolane is sourced from PubChem (CID 102498102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).