2-prop-2-enoyloxyethyl 3-phenylprop-2-enoate

C14H14O4 — CID 53424506

IUPAC2-prop-2-enoyloxyethyl 3-phenylprop-2-enoate
SMILESC=CC(=O)OCCOC(=O)C=Cc1ccccc1
InChIInChI=1S/C14H14O4/c1-2-13(15)17-10-11-18-14(16)9-8-12-6-4-3-5-7-12/h2-9H,1,10-11H2
InChIKeyWWFHNTLFRMYXKQ-UHFFFAOYSA-N
MW246.26 g/mol
LogP1.97
Rot. Bonds6

About 2-prop-2-enoyloxyethyl 3-phenylprop-2-enoate

2-prop-2-enoyloxyethyl 3-phenylprop-2-enoate (PubChem CID 53424506) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is 2-prop-2-enoyloxyethyl 3-phenylprop-2-enoate.

Molecular Properties

Compound Name2-prop-2-enoyloxyethyl 3-phenylprop-2-enoate
PubChem CID53424506
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name2-prop-2-enoyloxyethyl 3-phenylprop-2-enoate
SMILESC=CC(=O)OCCOC(=O)C=Cc1ccccc1
InChIInChI=1S/C14H14O4/c1-2-13(15)17-10-11-18-14(16)9-8-12-6-4-3-5-7-12/h2-9H,1,10-11H2
InChIKeyWWFHNTLFRMYXKQ-UHFFFAOYSA-N
XLogP1.97
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 51.97
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

3-prop-2-enoyloxypropyl 3-phenylprop-2-enoate
CID 70566588
2-ethenoxyethyl 3-phenylprop-2-enoate
CID 54391512
4-[4-[4-(4-prop-2-enoyloxybutoxy)phenyl]phenoxy]butyl (E)-3-phenylprop-2-enoate
CID 102145573
2-acetyloxyethyl 3-phenylprop-2-enoate
CID 137478335
2-(prop-2-enoylamino)ethyl 3-phenylprop-2-enoate
CID 172634996
2-ethenylsulfanylethyl (E)-3-phenylprop-2-enoate
CID 70468065
2-methylidene-4-(3-phenylprop-2-enoyloxy)butanoic acid
CID 57040443
2-(3-phenylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;styrene
CID 175223098
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
phthalic acid;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162086806

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoyloxyethyl 3-phenylprop-2-enoate?
The IUPAC name of 2-prop-2-enoyloxyethyl 3-phenylprop-2-enoate (CID 53424506) is 2-prop-2-enoyloxyethyl 3-phenylprop-2-enoate.
What is the SMILES notation for 2-prop-2-enoyloxyethyl 3-phenylprop-2-enoate?
The canonical SMILES for 2-prop-2-enoyloxyethyl 3-phenylprop-2-enoate is C=CC(=O)OCCOC(=O)C=Cc1ccccc1.
What is the InChIKey of 2-prop-2-enoyloxyethyl 3-phenylprop-2-enoate?
The InChIKey is WWFHNTLFRMYXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4/c1-2-13(15)17-10-11-18-14(16)9-8-12-6-4-3-5-7-12/h2-9H,1,10-11H2.
What are the key properties of 2-prop-2-enoyloxyethyl 3-phenylprop-2-enoate?
2-prop-2-enoyloxyethyl 3-phenylprop-2-enoate has a molecular weight of 246.26 g/mol, XLogP of 1.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoyloxyethyl 3-phenylprop-2-enoate is sourced from PubChem (CID 53424506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).