[4-(2-methylprop-2-enoyloxy)-3-propanoylphenyl] 2-methylprop-2-enoate

C17H18O5 — CID 169258545

IUPAC[4-(2-methylprop-2-enoyloxy)-3-propanoylphenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(OC(=O)C(=C)C)c(C(=O)CC)c1
InChIInChI=1S/C17H18O5/c1-6-14(18)13-9-12(21-16(19)10(2)3)7-8-15(13)22-17(20)11(4)5/h7-9H,2,4,6H2,1,3,5H3
InChIKeyOSIZXXDLRCFVDT-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.24
Rot. Bonds6

About [4-(2-methylprop-2-enoyloxy)-3-propanoylphenyl] 2-methylprop-2-enoate

[4-(2-methylprop-2-enoyloxy)-3-propanoylphenyl] 2-methylprop-2-enoate (PubChem CID 169258545) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is [4-(2-methylprop-2-enoyloxy)-3-propanoylphenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-(2-methylprop-2-enoyloxy)-3-propanoylphenyl] 2-methylprop-2-enoate
PubChem CID169258545
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Name[4-(2-methylprop-2-enoyloxy)-3-propanoylphenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(OC(=O)C(=C)C)c(C(=O)CC)c1
InChIInChI=1S/C17H18O5/c1-6-14(18)13-9-12(21-16(19)10(2)3)7-8-15(13)22-17(20)11(4)5/h7-9H,2,4,6H2,1,3,5H3
InChIKeyOSIZXXDLRCFVDT-UHFFFAOYSA-N
XLogP3.24
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-acetyl-4-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
CID 169258569
1-[2,5-di(propan-2-yloxy)phenyl]propan-1-one
CID 82267817
2-ethoxy-4-(2-methylprop-2-enoyloxy)benzoic acid;hydrochloride
CID 69497171
(2-acetyloxy-4-hydroxyphenyl) 2-methylprop-2-enoate;(3-acetyloxy-4-hydroxyphenyl) 2-methylprop-2-enoate;ethyl 2-hydroxy-5-(2-methylprop-2-enoyloxy)benzoate;ethyl 5-hydroxy-2-(2-methylprop-2-enoyloxy)benzoate;(4-hydroxy-2-propanoyloxyphenyl) 2-methylprop-2-enoate;(4-hydroxy-3-propanoyloxyphenyl) 2-methylprop-2-enoate;(4-hydroxy-2-propanoylphenyl) 2-methylprop-2-enoate;(4-hydroxy-3-propanoylphenyl) 2-methylprop-2-enoate;methyl 2-hydroxy-5-(2-methylprop-2-enoyloxy)benzoate;methyl 5-hydroxy-2-(2-methylprop-2-enoyloxy)benzoate
CID 162227885
[4-(2-methylprop-2-enoyloxy)phenyl] 2-[(Z)-2-methylbut-2-enoyl]oxy-4-(2-methylprop-2-enoyloxy)benzoate
CID 118907446
[3-bromo-4-[4-[2-bromo-4-(2-methylprop-2-enoyloxy)phenoxy]butoxy]phenyl] 2-methylprop-2-enoate
CID 20548978
[6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate
CID 58069127
(4-ethoxyphenyl) 2-methylprop-2-enoate
CID 54374861
(4-acetyloxy-3-ethenylphenyl) 2-methylprop-2-enoate
CID 118696254
[4-[4-(2-methylprop-2-enoyloxy)-3-[(3Z,5E)-5-(2-methylprop-2-enoyloxy)hepta-1,3,5-trien-2-yl]phenyl]phenyl] 2-methylprop-2-enoate
CID 146514183
[4-(3-methoxy-4-propanoyloxyphenyl)phenyl] 2-methylprop-2-enoate
CID 139527455
[4-acetyloxy-3-(2-chloroacetyl)phenyl] acetate
CID 24975107

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylprop-2-enoyloxy)-3-propanoylphenyl] 2-methylprop-2-enoate?
The IUPAC name of [4-(2-methylprop-2-enoyloxy)-3-propanoylphenyl] 2-methylprop-2-enoate (CID 169258545) is [4-(2-methylprop-2-enoyloxy)-3-propanoylphenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-(2-methylprop-2-enoyloxy)-3-propanoylphenyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-(2-methylprop-2-enoyloxy)-3-propanoylphenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(OC(=O)C(=C)C)c(C(=O)CC)c1.
What is the InChIKey of [4-(2-methylprop-2-enoyloxy)-3-propanoylphenyl] 2-methylprop-2-enoate?
The InChIKey is OSIZXXDLRCFVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O5/c1-6-14(18)13-9-12(21-16(19)10(2)3)7-8-15(13)22-17(20)11(4)5/h7-9H,2,4,6H2,1,3,5H3.
What are the key properties of [4-(2-methylprop-2-enoyloxy)-3-propanoylphenyl] 2-methylprop-2-enoate?
[4-(2-methylprop-2-enoyloxy)-3-propanoylphenyl] 2-methylprop-2-enoate has a molecular weight of 302.33 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylprop-2-enoyloxy)-3-propanoylphenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 169258545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).