benzyl 3-phenylprop-2-enoate;2,5-dimethoxyoxolane

C22H26O5 — CID 70005636

IUPACbenzyl 3-phenylprop-2-enoate;2,5-dimethoxyoxolane
SMILESCOC1CCC(OC)O1.O=C(C=Cc1ccccc1)OCc1ccccc1
InChIInChI=1S/C16H14O2.C6H12O3/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15;1-7-5-3-4-6(8-2)9-5/h1-12H,13H2;5-6H,3-4H2,1-2H3
InChIKeySNOXJODXQHZAEI-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.18
Rot. Bonds6

About benzyl 3-phenylprop-2-enoate;2,5-dimethoxyoxolane

benzyl 3-phenylprop-2-enoate;2,5-dimethoxyoxolane (PubChem CID 70005636) has the molecular formula C22H26O5 and a molecular weight of 370.45 g/mol. Its IUPAC name is benzyl 3-phenylprop-2-enoate;2,5-dimethoxyoxolane.

Molecular Properties

Compound Namebenzyl 3-phenylprop-2-enoate;2,5-dimethoxyoxolane
PubChem CID70005636
Molecular FormulaC22H26O5
Molecular Weight370.45 g/mol
Exact Mass370.18
IUPAC Namebenzyl 3-phenylprop-2-enoate;2,5-dimethoxyoxolane
SMILESCOC1CCC(OC)O1.O=C(C=Cc1ccccc1)OCc1ccccc1
InChIInChI=1S/C16H14O2.C6H12O3/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15;1-7-5-3-4-6(8-2)9-5/h1-12H,13H2;5-6H,3-4H2,1-2H3
InChIKeySNOXJODXQHZAEI-UHFFFAOYSA-N
XLogP4.18
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl 3-phenylprop-2-enoate;2,5-dimethoxyoxolane?
The IUPAC name of benzyl 3-phenylprop-2-enoate;2,5-dimethoxyoxolane (CID 70005636) is benzyl 3-phenylprop-2-enoate;2,5-dimethoxyoxolane.
What is the SMILES notation for benzyl 3-phenylprop-2-enoate;2,5-dimethoxyoxolane?
The canonical SMILES for benzyl 3-phenylprop-2-enoate;2,5-dimethoxyoxolane is COC1CCC(OC)O1.O=C(C=Cc1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl 3-phenylprop-2-enoate;2,5-dimethoxyoxolane?
The InChIKey is SNOXJODXQHZAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2.C6H12O3/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15;1-7-5-3-4-6(8-2)9-5/h1-12H,13H2;5-6H,3-4H2,1-2H3.
What are the key properties of benzyl 3-phenylprop-2-enoate;2,5-dimethoxyoxolane?
benzyl 3-phenylprop-2-enoate;2,5-dimethoxyoxolane has a molecular weight of 370.45 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-phenylprop-2-enoate;2,5-dimethoxyoxolane is sourced from PubChem (CID 70005636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).