[4-[1-[4-(prop-2-enoyloxymethyl)phenyl]propyl]phenyl]methyl prop-2-enoate

C23H24O4 — CID 174980361

IUPAC[4-[1-[4-(prop-2-enoyloxymethyl)phenyl]propyl]phenyl]methyl prop-2-enoate
SMILESC=CC(=O)OCc1ccc(C(CC)c2ccc(COC(=O)C=C)cc2)cc1
InChIInChI=1S/C23H24O4/c1-4-21(19-11-7-17(8-12-19)15-26-22(24)5-2)20-13-9-18(10-14-20)16-27-23(25)6-3/h5-14,21H,2-4,15-16H2,1H3
InChIKeyHIRLYUINHZWRGC-UHFFFAOYSA-N
MW364.44 g/mol
LogP4.69
Rot. Bonds9

About [4-[1-[4-(prop-2-enoyloxymethyl)phenyl]propyl]phenyl]methyl prop-2-enoate

[4-[1-[4-(prop-2-enoyloxymethyl)phenyl]propyl]phenyl]methyl prop-2-enoate (PubChem CID 174980361) has the molecular formula C23H24O4 and a molecular weight of 364.44 g/mol. Its IUPAC name is [4-[1-[4-(prop-2-enoyloxymethyl)phenyl]propyl]phenyl]methyl prop-2-enoate.

Molecular Properties

Compound Name[4-[1-[4-(prop-2-enoyloxymethyl)phenyl]propyl]phenyl]methyl prop-2-enoate
PubChem CID174980361
Molecular FormulaC23H24O4
Molecular Weight364.44 g/mol
Exact Mass364.17
IUPAC Name[4-[1-[4-(prop-2-enoyloxymethyl)phenyl]propyl]phenyl]methyl prop-2-enoate
SMILESC=CC(=O)OCc1ccc(C(CC)c2ccc(COC(=O)C=C)cc2)cc1
InChIInChI=1S/C23H24O4/c1-4-21(19-11-7-17(8-12-19)15-26-22(24)5-2)20-13-9-18(10-14-20)16-27-23(25)6-3/h5-14,21H,2-4,15-16H2,1H3
InChIKeyHIRLYUINHZWRGC-UHFFFAOYSA-N
XLogP4.69
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-hydroxy-3-[1-[4-[1-[4-[2-(2-hydroxy-3-prop-2-enoyloxypropoxy)propyl]phenyl]propyl]phenyl]propan-2-yloxy]propyl] prop-2-enoate
CID 175491153
[4-[4-(prop-2-enoyloxymethyl)benzoyl]phenyl]methyl prop-2-enoate
CID 171722962
(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
benzyl prop-2-enoate;ethyl(trimethoxy)silane
CID 174910420
[2-(2-hydroxypropoxy)-2-[4-[1-[4-[1-(2-hydroxypropoxy)-2-prop-2-enoyloxyethoxy]phenyl]propyl]phenoxy]ethyl] prop-2-enoate
CID 70568578
[4-(1-butoxyethoxy)phenyl]methyl prop-2-enoate
CID 19782944
benzyl prop-2-enoate;2-phenylethyl prop-2-enoate
CID 159252010
[4-[4-(prop-2-enoyloxymethyl)benzoyl]oxyphenyl] 4-(prop-2-enoyloxymethyl)benzoate
CID 20718187
[4-[4-(prop-2-enoyloxymethyl)-N-[4-[[4-(prop-2-enoyloxymethyl)phenoxy]methoxy]phenyl]anilino]phenyl]methyl prop-2-enoate
CID 59716165
benzyl prop-2-enoate;(Z)-but-2-enedioic acid;hexyl prop-2-enoate
CID 70274050

Frequently Asked Questions

What is the IUPAC name of [4-[1-[4-(prop-2-enoyloxymethyl)phenyl]propyl]phenyl]methyl prop-2-enoate?
The IUPAC name of [4-[1-[4-(prop-2-enoyloxymethyl)phenyl]propyl]phenyl]methyl prop-2-enoate (CID 174980361) is [4-[1-[4-(prop-2-enoyloxymethyl)phenyl]propyl]phenyl]methyl prop-2-enoate.
What is the SMILES notation for [4-[1-[4-(prop-2-enoyloxymethyl)phenyl]propyl]phenyl]methyl prop-2-enoate?
The canonical SMILES for [4-[1-[4-(prop-2-enoyloxymethyl)phenyl]propyl]phenyl]methyl prop-2-enoate is C=CC(=O)OCc1ccc(C(CC)c2ccc(COC(=O)C=C)cc2)cc1.
What is the InChIKey of [4-[1-[4-(prop-2-enoyloxymethyl)phenyl]propyl]phenyl]methyl prop-2-enoate?
The InChIKey is HIRLYUINHZWRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O4/c1-4-21(19-11-7-17(8-12-19)15-26-22(24)5-2)20-13-9-18(10-14-20)16-27-23(25)6-3/h5-14,21H,2-4,15-16H2,1H3.
What are the key properties of [4-[1-[4-(prop-2-enoyloxymethyl)phenyl]propyl]phenyl]methyl prop-2-enoate?
[4-[1-[4-(prop-2-enoyloxymethyl)phenyl]propyl]phenyl]methyl prop-2-enoate has a molecular weight of 364.44 g/mol, XLogP of 4.69, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[4-(prop-2-enoyloxymethyl)phenyl]propyl]phenyl]methyl prop-2-enoate is sourced from PubChem (CID 174980361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).