methyl 3-(2-bromo-5-chlorophenyl)prop-2-enoate

C10H8BrClO2 — CID 169479768

IUPACmethyl 3-(2-bromo-5-chlorophenyl)prop-2-enoate
SMILESCOC(=O)C=Cc1cc(Cl)ccc1Br
InChIInChI=1S/C10H8BrClO2/c1-14-10(13)5-2-7-6-8(12)3-4-9(7)11/h2-6H,1H3
InChIKeyJVUYGMGXQQCFEN-UHFFFAOYSA-N
MW275.53 g/mol
LogP3.29
Rot. Bonds2

About methyl 3-(2-bromo-5-chlorophenyl)prop-2-enoate

methyl 3-(2-bromo-5-chlorophenyl)prop-2-enoate (PubChem CID 169479768) has the molecular formula C10H8BrClO2 and a molecular weight of 275.53 g/mol. Its IUPAC name is methyl 3-(2-bromo-5-chlorophenyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-(2-bromo-5-chlorophenyl)prop-2-enoate
PubChem CID169479768
Molecular FormulaC10H8BrClO2
Molecular Weight275.53 g/mol
Exact Mass273.94
IUPAC Namemethyl 3-(2-bromo-5-chlorophenyl)prop-2-enoate
SMILESCOC(=O)C=Cc1cc(Cl)ccc1Br
InChIInChI=1S/C10H8BrClO2/c1-14-10(13)5-2-7-6-8(12)3-4-9(7)11/h2-6H,1H3
InChIKeyJVUYGMGXQQCFEN-UHFFFAOYSA-N
XLogP3.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.53
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-3-(2-bromo-5-chlorophenyl)prop-2-enoate
CID 139488565
2-bromo-4-chlorobenzaldehyde;methyl (E)-3-(2-bromo-4-chlorophenyl)prop-2-enoate
CID 158910064
methyl 3-(4-chloro-2-formylphenyl)prop-2-enoate
CID 75631786
methyl 3-(2-amino-4-chlorophenyl)prop-2-enoate
CID 54391756
methyl 3-(5-chloro-1H-indol-3-yl)prop-2-enoate
CID 66662365
methyl (E)-3-(2,5-difluorophenyl)prop-2-enoate
CID 53338930
methyl 3-(5-chloro-3-formyl-2-hydroxyphenyl)prop-2-enoate
CID 169479153
methyl (E)-3-(4-bromo-2-fluorophenyl)prop-2-enoate
CID 18989439
methyl (E)-2-[4-chloro-2-[(E)-3-methoxy-3-oxoprop-1-enyl]phenoxy]-3-methoxyprop-2-enoate
CID 70194043
methyl (E)-3-[2-[(3-bromophenyl)carbamoylamino]-4-chlorophenyl]prop-2-enoate
CID 11486663
methyl 3-(5-chloro-2-oxo-1H-pyridin-3-yl)prop-2-enoate
CID 169478813
methyl (E)-3-(4-bromo-2-methoxy-3-methylphenyl)prop-2-enoate
CID 145178464

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-bromo-5-chlorophenyl)prop-2-enoate?
The IUPAC name of methyl 3-(2-bromo-5-chlorophenyl)prop-2-enoate (CID 169479768) is methyl 3-(2-bromo-5-chlorophenyl)prop-2-enoate.
What is the SMILES notation for methyl 3-(2-bromo-5-chlorophenyl)prop-2-enoate?
The canonical SMILES for methyl 3-(2-bromo-5-chlorophenyl)prop-2-enoate is COC(=O)C=Cc1cc(Cl)ccc1Br.
What is the InChIKey of methyl 3-(2-bromo-5-chlorophenyl)prop-2-enoate?
The InChIKey is JVUYGMGXQQCFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClO2/c1-14-10(13)5-2-7-6-8(12)3-4-9(7)11/h2-6H,1H3.
What are the key properties of methyl 3-(2-bromo-5-chlorophenyl)prop-2-enoate?
methyl 3-(2-bromo-5-chlorophenyl)prop-2-enoate has a molecular weight of 275.53 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-bromo-5-chlorophenyl)prop-2-enoate is sourced from PubChem (CID 169479768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).