3-prop-2-enoyloxypropyl 3-phenylprop-2-enoate

C15H16O4 — CID 70566588

IUPAC3-prop-2-enoyloxypropyl 3-phenylprop-2-enoate
SMILESC=CC(=O)OCCCOC(=O)C=Cc1ccccc1
InChIInChI=1S/C15H16O4/c1-2-14(16)18-11-6-12-19-15(17)10-9-13-7-4-3-5-8-13/h2-5,7-10H,1,6,11-12H2
InChIKeyFCORNMYWSOMLFZ-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.36
Rot. Bonds7

About 3-prop-2-enoyloxypropyl 3-phenylprop-2-enoate

3-prop-2-enoyloxypropyl 3-phenylprop-2-enoate (PubChem CID 70566588) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-prop-2-enoyloxypropyl 3-phenylprop-2-enoate.

Molecular Properties

Compound Name3-prop-2-enoyloxypropyl 3-phenylprop-2-enoate
PubChem CID70566588
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name3-prop-2-enoyloxypropyl 3-phenylprop-2-enoate
SMILESC=CC(=O)OCCCOC(=O)C=Cc1ccccc1
InChIInChI=1S/C15H16O4/c1-2-14(16)18-11-6-12-19-15(17)10-9-13-7-4-3-5-8-13/h2-5,7-10H,1,6,11-12H2
InChIKeyFCORNMYWSOMLFZ-UHFFFAOYSA-N
XLogP2.36
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-prop-2-enoyloxyethyl 3-phenylprop-2-enoate
CID 53424506
4-[4-[4-(4-prop-2-enoyloxybutoxy)phenyl]phenoxy]butyl (E)-3-phenylprop-2-enoate
CID 102145573
3-[(E)-3-phenylprop-2-enoyl]oxypropylazanium
CID 58816851
4-bromobutyl 3-phenylprop-2-enoate
CID 72801384
5-hydroxypentyl 3-phenylprop-2-enoate
CID 71335867
2-ethenoxyethyl 3-phenylprop-2-enoate
CID 54391512
6-aminohexyl (E)-3-phenylprop-2-enoate;hydrochloride
CID 19066595
2-(prop-2-enoylamino)ethyl 3-phenylprop-2-enoate
CID 172634996
3-prop-2-enoyloxypropyl (E)-3-(3,5-difluorophenyl)prop-2-enoate
CID 70288420
2-ethenylsulfanylethyl (E)-3-phenylprop-2-enoate
CID 70468065
3-[dichloro-[3-[(E)-3-phenylprop-2-enoyl]oxypropyl]-λ4-selanyl]propyl (E)-3-phenylprop-2-enoate
CID 134925812
3-(2-methoxyphenoxy)propyl (E)-3-phenylprop-2-enoate
CID 5357048

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enoyloxypropyl 3-phenylprop-2-enoate?
The IUPAC name of 3-prop-2-enoyloxypropyl 3-phenylprop-2-enoate (CID 70566588) is 3-prop-2-enoyloxypropyl 3-phenylprop-2-enoate.
What is the SMILES notation for 3-prop-2-enoyloxypropyl 3-phenylprop-2-enoate?
The canonical SMILES for 3-prop-2-enoyloxypropyl 3-phenylprop-2-enoate is C=CC(=O)OCCCOC(=O)C=Cc1ccccc1.
What is the InChIKey of 3-prop-2-enoyloxypropyl 3-phenylprop-2-enoate?
The InChIKey is FCORNMYWSOMLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-2-14(16)18-11-6-12-19-15(17)10-9-13-7-4-3-5-8-13/h2-5,7-10H,1,6,11-12H2.
What are the key properties of 3-prop-2-enoyloxypropyl 3-phenylprop-2-enoate?
3-prop-2-enoyloxypropyl 3-phenylprop-2-enoate has a molecular weight of 260.29 g/mol, XLogP of 2.36, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enoyloxypropyl 3-phenylprop-2-enoate is sourced from PubChem (CID 70566588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).