[4-bromo-3,5-di(prop-2-enoyloxy)phenyl] prop-2-enoate

C15H11BrO6 — CID 141004975

IUPAC[4-bromo-3,5-di(prop-2-enoyloxy)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1cc(OC(=O)C=C)c(Br)c(OC(=O)C=C)c1
InChIInChI=1S/C15H11BrO6/c1-4-12(17)20-9-7-10(21-13(18)5-2)15(16)11(8-9)22-14(19)6-3/h4-8H,1-3H2
InChIKeyHLMVUUGTSCJMKG-UHFFFAOYSA-N
MW367.15 g/mol
LogP2.72
Rot. Bonds6

About [4-bromo-3,5-di(prop-2-enoyloxy)phenyl] prop-2-enoate

[4-bromo-3,5-di(prop-2-enoyloxy)phenyl] prop-2-enoate (PubChem CID 141004975) has the molecular formula C15H11BrO6 and a molecular weight of 367.15 g/mol. Its IUPAC name is [4-bromo-3,5-di(prop-2-enoyloxy)phenyl] prop-2-enoate.

Molecular Properties

Compound Name[4-bromo-3,5-di(prop-2-enoyloxy)phenyl] prop-2-enoate
PubChem CID141004975
Molecular FormulaC15H11BrO6
Molecular Weight367.15 g/mol
Exact Mass365.97
IUPAC Name[4-bromo-3,5-di(prop-2-enoyloxy)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1cc(OC(=O)C=C)c(Br)c(OC(=O)C=C)c1
InChIInChI=1S/C15H11BrO6/c1-4-12(17)20-9-7-10(21-13(18)5-2)15(16)11(8-9)22-14(19)6-3/h4-8H,1-3H2
InChIKeyHLMVUUGTSCJMKG-UHFFFAOYSA-N
XLogP2.72
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.15
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

(3,4,5-trimethoxyphenyl) prop-2-enoate
CID 100954582
[6,8-di(prop-2-enoyloxy)naphthalen-2-yl] prop-2-enoate
CID 163762483
(2,4,6-tribromo-3-prop-2-enoyloxyphenyl) prop-2-enoate
CID 22625259
[3,5-dichloro-4-(2,6-dichloro-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate
CID 70544531
(4-bromo-2-fluorophenyl) prop-2-enoate
CID 174643250
(4-ethyl-3,5-dimethoxyphenyl) prop-2-enoate
CID 18361938
[2,4,5-tribromo-3,6-di(prop-2-enoyloxy)phenyl] prop-2-enoate
CID 18714384
[2,4-di(prop-2-enoyloxy)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]-2-methylprop-2-enoate
CID 123414988
(3,5-ditert-butylphenyl) prop-2-enoate
CID 46835728
(2,5-diethoxyphenyl) prop-2-enoate
CID 174805229
(4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate
CID 70427728
5-amino-2-prop-2-enoyloxybenzoic acid
CID 69379168

Frequently Asked Questions

What is the IUPAC name of [4-bromo-3,5-di(prop-2-enoyloxy)phenyl] prop-2-enoate?
The IUPAC name of [4-bromo-3,5-di(prop-2-enoyloxy)phenyl] prop-2-enoate (CID 141004975) is [4-bromo-3,5-di(prop-2-enoyloxy)phenyl] prop-2-enoate.
What is the SMILES notation for [4-bromo-3,5-di(prop-2-enoyloxy)phenyl] prop-2-enoate?
The canonical SMILES for [4-bromo-3,5-di(prop-2-enoyloxy)phenyl] prop-2-enoate is C=CC(=O)Oc1cc(OC(=O)C=C)c(Br)c(OC(=O)C=C)c1.
What is the InChIKey of [4-bromo-3,5-di(prop-2-enoyloxy)phenyl] prop-2-enoate?
The InChIKey is HLMVUUGTSCJMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrO6/c1-4-12(17)20-9-7-10(21-13(18)5-2)15(16)11(8-9)22-14(19)6-3/h4-8H,1-3H2.
What are the key properties of [4-bromo-3,5-di(prop-2-enoyloxy)phenyl] prop-2-enoate?
[4-bromo-3,5-di(prop-2-enoyloxy)phenyl] prop-2-enoate has a molecular weight of 367.15 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-3,5-di(prop-2-enoyloxy)phenyl] prop-2-enoate is sourced from PubChem (CID 141004975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).