2-[3-(prop-2-enoyloxymethyl)phenoxy]ethyl prop-2-enoate

C15H16O5 — CID 118333634

IUPAC2-[3-(prop-2-enoyloxymethyl)phenoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1cccc(COC(=O)C=C)c1
InChIInChI=1S/C15H16O5/c1-3-14(16)19-9-8-18-13-7-5-6-12(10-13)11-20-15(17)4-2/h3-7,10H,1-2,8-9,11H2
InChIKeyQXGIBHPWYDHKDK-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.02
Rot. Bonds8

About 2-[3-(prop-2-enoyloxymethyl)phenoxy]ethyl prop-2-enoate

2-[3-(prop-2-enoyloxymethyl)phenoxy]ethyl prop-2-enoate (PubChem CID 118333634) has the molecular formula C15H16O5 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-[3-(prop-2-enoyloxymethyl)phenoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[3-(prop-2-enoyloxymethyl)phenoxy]ethyl prop-2-enoate
PubChem CID118333634
Molecular FormulaC15H16O5
Molecular Weight276.29 g/mol
Exact Mass276.10
IUPAC Name2-[3-(prop-2-enoyloxymethyl)phenoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1cccc(COC(=O)C=C)c1
InChIInChI=1S/C15H16O5/c1-3-14(16)19-9-8-18-13-7-5-6-12(10-13)11-20-15(17)4-2/h3-7,10H,1-2,8-9,11H2
InChIKeyQXGIBHPWYDHKDK-UHFFFAOYSA-N
XLogP2.02
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(3-hydroxyphenoxy)ethyl prop-2-enoate
CID 57126182
formaldehyde;2-[4-[[4-(prop-2-enoyloxymethyl)phenyl]methyl]phenoxy]ethyl prop-2-enoate
CID 162101397
2-[3-(3-methylphenyl)phenoxy]ethyl prop-2-enoate
CID 70425725
benzyl prop-2-enoate;2-phenylethyl prop-2-enoate
CID 159252010
2-(3-methylphenoxy)ethyl 2-methylprop-2-enoate;2-(3-methylphenoxy)ethyl prop-2-enoate;2-(3-methylphenyl)ethyl 2-methylprop-2-enoate;2-(3-methylphenyl)ethyl prop-2-enoate;(3-methylphenyl)methyl 2-methylprop-2-enoate;(3-methylphenyl)methyl prop-2-enoate;2-(3-methylphenyl)sulfanylethyl 2-methylprop-2-enoate;2-(3-methylphenyl)sulfanylethyl prop-2-enoate
CID 167659188
methyl prop-2-enoate;2-phenoxyethyl prop-2-enoate
CID 174741391
2-pyridin-3-yloxyethyl prop-2-enoate
CID 59502785
3-(10-prop-2-enoyloxydecoxy)benzoic acid
CID 101392903
[3-[(trimethyl-λ4-sulfanyl)methyl]phenyl]methyl prop-2-enoate
CID 138480975
benzyl prop-2-enoate;but-2-enedioic acid
CID 70273802
CID 159481428
CID 159481428
anthracen-2-ylmethyl prop-2-enoate
CID 163424587

Frequently Asked Questions

What is the IUPAC name of 2-[3-(prop-2-enoyloxymethyl)phenoxy]ethyl prop-2-enoate?
The IUPAC name of 2-[3-(prop-2-enoyloxymethyl)phenoxy]ethyl prop-2-enoate (CID 118333634) is 2-[3-(prop-2-enoyloxymethyl)phenoxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[3-(prop-2-enoyloxymethyl)phenoxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[3-(prop-2-enoyloxymethyl)phenoxy]ethyl prop-2-enoate is C=CC(=O)OCCOc1cccc(COC(=O)C=C)c1.
What is the InChIKey of 2-[3-(prop-2-enoyloxymethyl)phenoxy]ethyl prop-2-enoate?
The InChIKey is QXGIBHPWYDHKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O5/c1-3-14(16)19-9-8-18-13-7-5-6-12(10-13)11-20-15(17)4-2/h3-7,10H,1-2,8-9,11H2.
What are the key properties of 2-[3-(prop-2-enoyloxymethyl)phenoxy]ethyl prop-2-enoate?
2-[3-(prop-2-enoyloxymethyl)phenoxy]ethyl prop-2-enoate has a molecular weight of 276.29 g/mol, XLogP of 2.02, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(prop-2-enoyloxymethyl)phenoxy]ethyl prop-2-enoate is sourced from PubChem (CID 118333634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).