3-phenoxyprop-2-enyl prop-2-enoate

C12H12O3 — CID 66647302

IUPAC3-phenoxyprop-2-enyl prop-2-enoate
SMILESC=CC(=O)OCC=COc1ccccc1
InChIInChI=1S/C12H12O3/c1-2-12(13)15-10-6-9-14-11-7-4-3-5-8-11/h2-9H,1,10H2
InChIKeySGZQGWMMSSLICV-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.31
Rot. Bonds5

About 3-phenoxyprop-2-enyl prop-2-enoate

3-phenoxyprop-2-enyl prop-2-enoate (PubChem CID 66647302) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is 3-phenoxyprop-2-enyl prop-2-enoate.

Molecular Properties

Compound Name3-phenoxyprop-2-enyl prop-2-enoate
PubChem CID66647302
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name3-phenoxyprop-2-enyl prop-2-enoate
SMILESC=CC(=O)OCC=COc1ccccc1
InChIInChI=1S/C12H12O3/c1-2-12(13)15-10-6-9-14-11-7-4-3-5-8-11/h2-9H,1,10H2
InChIKeySGZQGWMMSSLICV-UHFFFAOYSA-N
XLogP2.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(2E)-penta-2,4-dienyl] prop-2-enoate
CID 88501874
3-(4-prop-2-enoyloxyphenyl)prop-2-enyl prop-2-enoate
CID 54376177
methyl (Z)-4-phenoxybut-3-enoate
CID 5371920
(2-amino-3-phenoxypropyl) prop-2-enoate
CID 69463364
phenoxybenzene;prop-2-enoic acid
CID 66735010
phenyl prop-2-enoate;triphenylene
CID 159225619
buta-1,3-diene;prop-2-enyl prop-2-enoate
CID 87253709
phthalic acid;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162086806
buta-1,3-diene;but-2-enyl prop-2-enoate;prop-2-enoic acid
CID 175280821
methyl prop-2-enoate;2-phenoxyethyl prop-2-enoate
CID 174741391
[(E)-3-(furan-2-yl)prop-2-enyl] prop-2-enoate
CID 164665963
3-[4-[4-[3-(2-methylprop-2-enoyloxy)prop-1-enoxy]phenyl]phenoxy]prop-2-enyl 2-methylprop-2-enoate
CID 123863049

Frequently Asked Questions

What is the IUPAC name of 3-phenoxyprop-2-enyl prop-2-enoate?
The IUPAC name of 3-phenoxyprop-2-enyl prop-2-enoate (CID 66647302) is 3-phenoxyprop-2-enyl prop-2-enoate.
What is the SMILES notation for 3-phenoxyprop-2-enyl prop-2-enoate?
The canonical SMILES for 3-phenoxyprop-2-enyl prop-2-enoate is C=CC(=O)OCC=COc1ccccc1.
What is the InChIKey of 3-phenoxyprop-2-enyl prop-2-enoate?
The InChIKey is SGZQGWMMSSLICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-2-12(13)15-10-6-9-14-11-7-4-3-5-8-11/h2-9H,1,10H2.
What are the key properties of 3-phenoxyprop-2-enyl prop-2-enoate?
3-phenoxyprop-2-enyl prop-2-enoate has a molecular weight of 204.22 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxyprop-2-enyl prop-2-enoate is sourced from PubChem (CID 66647302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).