methyl prop-2-enoate;2,4,6-tribromophenol

C10H9Br3O3 — CID 67859466

IUPACmethyl prop-2-enoate;2,4,6-tribromophenol
SMILESC=CC(=O)OC.Oc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C6H3Br3O.C4H6O2/c7-3-1-4(8)6(10)5(9)2-3;1-3-4(5)6-2/h1-2,10H;3H,1H2,2H3
InChIKeyNWINAXOAUGEIRM-UHFFFAOYSA-N
MW416.89 g/mol
LogP4.03
Rot. Bonds1

About methyl prop-2-enoate;2,4,6-tribromophenol

methyl prop-2-enoate;2,4,6-tribromophenol (PubChem CID 67859466) has the molecular formula C10H9Br3O3 and a molecular weight of 416.89 g/mol. Its IUPAC name is methyl prop-2-enoate;2,4,6-tribromophenol.

Molecular Properties

Compound Namemethyl prop-2-enoate;2,4,6-tribromophenol
PubChem CID67859466
Molecular FormulaC10H9Br3O3
Molecular Weight416.89 g/mol
Exact Mass413.81
IUPAC Namemethyl prop-2-enoate;2,4,6-tribromophenol
SMILESC=CC(=O)OC.Oc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C6H3Br3O.C4H6O2/c7-3-1-4(8)6(10)5(9)2-3;1-3-4(5)6-2/h1-2,10H;3H,1H2,2H3
InChIKeyNWINAXOAUGEIRM-UHFFFAOYSA-N
XLogP4.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.89
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methylprop-2-enoic acid;prop-2-enoic acid;2,4,6-tribromophenol
CID 158547601
benzene-1,4-diol;bis(methyl prop-2-enoate)
CID 174482971
benzene-1,4-diol;methyl prop-2-enoate
CID 161143106
formaldehyde;bis(methyl prop-2-enoate)
CID 174834920
benzene;ethene;methyl prop-2-enoate
CID 174897686
N-methylmethanamine;methyl prop-2-enoate
CID 160519545
methyl prop-2-enoate;zinc;hydroiodide
CID 174920800
sodium;methyl prop-2-enoate;prop-2-enoate
CID 174422946
bis(methyl prop-2-enoate);propane
CID 160610529
dimethyltin;methyl prop-2-enoate
CID 174578648
chloro acetate;methyl prop-2-enoate
CID 174436882
hydrogen sulfite;methyl prop-2-enoate
CID 174688508

Frequently Asked Questions

What is the IUPAC name of methyl prop-2-enoate;2,4,6-tribromophenol?
The IUPAC name of methyl prop-2-enoate;2,4,6-tribromophenol (CID 67859466) is methyl prop-2-enoate;2,4,6-tribromophenol.
What is the SMILES notation for methyl prop-2-enoate;2,4,6-tribromophenol?
The canonical SMILES for methyl prop-2-enoate;2,4,6-tribromophenol is C=CC(=O)OC.Oc1c(Br)cc(Br)cc1Br.
What is the InChIKey of methyl prop-2-enoate;2,4,6-tribromophenol?
The InChIKey is NWINAXOAUGEIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Br3O.C4H6O2/c7-3-1-4(8)6(10)5(9)2-3;1-3-4(5)6-2/h1-2,10H;3H,1H2,2H3.
What are the key properties of methyl prop-2-enoate;2,4,6-tribromophenol?
methyl prop-2-enoate;2,4,6-tribromophenol has a molecular weight of 416.89 g/mol, XLogP of 4.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl prop-2-enoate;2,4,6-tribromophenol is sourced from PubChem (CID 67859466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).