[4-[4-(prop-2-enoyloxymethyl)benzoyl]phenyl]methyl prop-2-enoate

C21H18O5 — CID 171722962

IUPAC[4-[4-(prop-2-enoyloxymethyl)benzoyl]phenyl]methyl prop-2-enoate
SMILESC=CC(=O)OCc1ccc(C(=O)c2ccc(COC(=O)C=C)cc2)cc1
InChIInChI=1S/C21H18O5/c1-3-19(22)25-13-15-5-9-17(10-6-15)21(24)18-11-7-16(8-12-18)14-26-20(23)4-2/h3-12H,1-2,13-14H2
InChIKeyHOUSLRORYACNBT-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.38
Rot. Bonds8

About [4-[4-(prop-2-enoyloxymethyl)benzoyl]phenyl]methyl prop-2-enoate

[4-[4-(prop-2-enoyloxymethyl)benzoyl]phenyl]methyl prop-2-enoate (PubChem CID 171722962) has the molecular formula C21H18O5 and a molecular weight of 350.37 g/mol. Its IUPAC name is [4-[4-(prop-2-enoyloxymethyl)benzoyl]phenyl]methyl prop-2-enoate.

Molecular Properties

Compound Name[4-[4-(prop-2-enoyloxymethyl)benzoyl]phenyl]methyl prop-2-enoate
PubChem CID171722962
Molecular FormulaC21H18O5
Molecular Weight350.37 g/mol
Exact Mass350.12
IUPAC Name[4-[4-(prop-2-enoyloxymethyl)benzoyl]phenyl]methyl prop-2-enoate
SMILESC=CC(=O)OCc1ccc(C(=O)c2ccc(COC(=O)C=C)cc2)cc1
InChIInChI=1S/C21H18O5/c1-3-19(22)25-13-15-5-9-17(10-6-15)21(24)18-11-7-16(8-12-18)14-26-20(23)4-2/h3-12H,1-2,13-14H2
InChIKeyHOUSLRORYACNBT-UHFFFAOYSA-N
XLogP3.38
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.38
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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Related Compounds

[4-[4-(prop-2-enoyloxymethyl)benzoyl]oxyphenyl] 4-(prop-2-enoyloxymethyl)benzoate
CID 20718187
[4-(N-(4-benzoylphenyl)-4-ethenylanilino)phenyl]methyl prop-2-enoate
CID 59935411
[4-[2,5-di(prop-2-enoyloxy)benzoyl]phenyl]methyl prop-2-enoate
CID 118069099
[4-(prop-2-enoyloxymethyl)phenyl] 4-[4-(prop-2-enoyloxymethyl)phenyl]benzoate
CID 58471422
(4-methylsulfanylphenyl)methyl prop-2-enoate
CID 171485836
benzyl prop-2-enoate;but-2-enedioic acid
CID 70273802
[4-[[4-(carboxyoxymethyl)phenyl]disulfanyl]phenyl]methyl prop-2-enoate
CID 90058033
[4-[1-[4-(prop-2-enoyloxymethyl)phenyl]propyl]phenyl]methyl prop-2-enoate
CID 174980361
[4-[2-[4-(4-ethylphenyl)phenyl]-1-[4-(prop-2-enoyloxymethyl)phenyl]ethenyl]phenyl]methyl prop-2-enoate
CID 58520026
benzyl prop-2-enoate;2-phenylethyl prop-2-enoate
CID 159252010
[4-[4-(prop-2-enoyloxymethyl)-N-[4-[[4-(prop-2-enoyloxymethyl)phenoxy]methoxy]phenyl]anilino]phenyl]methyl prop-2-enoate
CID 59716165
formaldehyde;2-[4-[[4-(prop-2-enoyloxymethyl)phenyl]methyl]phenoxy]ethyl prop-2-enoate
CID 162101397

Frequently Asked Questions

What is the IUPAC name of [4-[4-(prop-2-enoyloxymethyl)benzoyl]phenyl]methyl prop-2-enoate?
The IUPAC name of [4-[4-(prop-2-enoyloxymethyl)benzoyl]phenyl]methyl prop-2-enoate (CID 171722962) is [4-[4-(prop-2-enoyloxymethyl)benzoyl]phenyl]methyl prop-2-enoate.
What is the SMILES notation for [4-[4-(prop-2-enoyloxymethyl)benzoyl]phenyl]methyl prop-2-enoate?
The canonical SMILES for [4-[4-(prop-2-enoyloxymethyl)benzoyl]phenyl]methyl prop-2-enoate is C=CC(=O)OCc1ccc(C(=O)c2ccc(COC(=O)C=C)cc2)cc1.
What is the InChIKey of [4-[4-(prop-2-enoyloxymethyl)benzoyl]phenyl]methyl prop-2-enoate?
The InChIKey is HOUSLRORYACNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O5/c1-3-19(22)25-13-15-5-9-17(10-6-15)21(24)18-11-7-16(8-12-18)14-26-20(23)4-2/h3-12H,1-2,13-14H2.
What are the key properties of [4-[4-(prop-2-enoyloxymethyl)benzoyl]phenyl]methyl prop-2-enoate?
[4-[4-(prop-2-enoyloxymethyl)benzoyl]phenyl]methyl prop-2-enoate has a molecular weight of 350.37 g/mol, XLogP of 3.38, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(prop-2-enoyloxymethyl)benzoyl]phenyl]methyl prop-2-enoate is sourced from PubChem (CID 171722962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).