oxan-2-ylmethyl 3-phenylprop-2-enoate

C15H18O3 — CID 73083639

IUPACoxan-2-ylmethyl 3-phenylprop-2-enoate
SMILESO=C(C=Cc1ccccc1)OCC1CCCCO1
InChIInChI=1S/C15H18O3/c16-15(10-9-13-6-2-1-3-7-13)18-12-14-8-4-5-11-17-14/h1-3,6-7,9-10,14H,4-5,8,11-12H2
InChIKeyPZTONKYAOYKHAP-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.81
Rot. Bonds4

About oxan-2-ylmethyl 3-phenylprop-2-enoate

oxan-2-ylmethyl 3-phenylprop-2-enoate (PubChem CID 73083639) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is oxan-2-ylmethyl 3-phenylprop-2-enoate.

Molecular Properties

Compound Nameoxan-2-ylmethyl 3-phenylprop-2-enoate
PubChem CID73083639
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Nameoxan-2-ylmethyl 3-phenylprop-2-enoate
SMILESO=C(C=Cc1ccccc1)OCC1CCCCO1
InChIInChI=1S/C15H18O3/c16-15(10-9-13-6-2-1-3-7-13)18-12-14-8-4-5-11-17-14/h1-3,6-7,9-10,14H,4-5,8,11-12H2
InChIKeyPZTONKYAOYKHAP-UHFFFAOYSA-N
XLogP2.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

oxan-2-ylmethyl 3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enoate
CID 76856622
4-oxo-4-(oxolan-2-ylmethoxy)but-2-enoic acid
CID 2827336
oxan-2-ylmethyl 3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoate
CID 76865635
[(2S,4S)-4,5-dimethyloxolan-2-yl]methyl (E)-3-phenylprop-2-enoate;(E)-3-phenylprop-2-enoic acid;hydrofluoride
CID 142301003
oxan-2-ylmethyl (4E)-hexa-2,4-dienoate
CID 78788988
9H-fluoren-9-ylmethyl 3-phenylprop-2-enoate
CID 91551203
oxan-2-ylmethyl 4-phenoxybutanoate
CID 78788814
oxan-2-ylmethyl 3-phenylbenzoate
CID 23625075
oxan-2-ylmethyl 2-[5-hydroxy-2-methyl-1-[(E)-3-phenylprop-2-enoyl]indol-3-yl]acetate
CID 89057186
[(2R)-4-benzylmorpholin-2-yl]methyl (E)-3-(4-chlorophenyl)prop-2-enoate
CID 95250882
oxan-2-ylmethyl 3-phenylsulfanylpropanoate
CID 78788879
benzyl 3-phenylprop-2-enoate;2,5-dimethoxyoxolane
CID 70005636

Frequently Asked Questions

What is the IUPAC name of oxan-2-ylmethyl 3-phenylprop-2-enoate?
The IUPAC name of oxan-2-ylmethyl 3-phenylprop-2-enoate (CID 73083639) is oxan-2-ylmethyl 3-phenylprop-2-enoate.
What is the SMILES notation for oxan-2-ylmethyl 3-phenylprop-2-enoate?
The canonical SMILES for oxan-2-ylmethyl 3-phenylprop-2-enoate is O=C(C=Cc1ccccc1)OCC1CCCCO1.
What is the InChIKey of oxan-2-ylmethyl 3-phenylprop-2-enoate?
The InChIKey is PZTONKYAOYKHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c16-15(10-9-13-6-2-1-3-7-13)18-12-14-8-4-5-11-17-14/h1-3,6-7,9-10,14H,4-5,8,11-12H2.
What are the key properties of oxan-2-ylmethyl 3-phenylprop-2-enoate?
oxan-2-ylmethyl 3-phenylprop-2-enoate has a molecular weight of 246.31 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-ylmethyl 3-phenylprop-2-enoate is sourced from PubChem (CID 73083639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).