ethyl (Z)-3-(3-bromophenyl)prop-2-enoate

C11H11BrO2 — CID 124561754

IUPACethyl (Z)-3-(3-bromophenyl)prop-2-enoate
SMILESCCOC(=O)/C=C\c1cccc(Br)c1
InChIInChI=1S/C11H11BrO2/c1-2-14-11(13)7-6-9-4-3-5-10(12)8-9/h3-8H,2H2,1H3/b7-6-
InChIKeyMSSAFCYKWMNVMZ-SREVYHEPSA-N
MW255.11 g/mol
LogP3.03
Rot. Bonds3

About ethyl (Z)-3-(3-bromophenyl)prop-2-enoate

ethyl (Z)-3-(3-bromophenyl)prop-2-enoate (PubChem CID 124561754) has the molecular formula C11H11BrO2 and a molecular weight of 255.11 g/mol. Its IUPAC name is ethyl (Z)-3-(3-bromophenyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-(3-bromophenyl)prop-2-enoate
PubChem CID124561754
Molecular FormulaC11H11BrO2
Molecular Weight255.11 g/mol
Exact Mass253.99
IUPAC Nameethyl (Z)-3-(3-bromophenyl)prop-2-enoate
SMILESCCOC(=O)/C=C\c1cccc(Br)c1
InChIInChI=1S/C11H11BrO2/c1-2-14-11(13)7-6-9-4-3-5-10(12)8-9/h3-8H,2H2,1H3/b7-6-
InChIKeyMSSAFCYKWMNVMZ-SREVYHEPSA-N
XLogP3.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 53.03
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-(3-formylphenyl)prop-2-enoate
CID 11310219
methyl (E)-3-(3-bromophenyl)prop-2-enoate
CID 1482751
ethyl 3-(7-bromobiphenylen-2-yl)prop-2-enoate
CID 54346207
3-[(E)-3-ethoxy-3-oxoprop-1-enyl]benzoic acid
CID 10489084
ethyl (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 5373781
ethyl 2-[[(E)-3-(3-bromophenyl)prop-2-enoyl]-methylamino]acetate
CID 55007873
[2-(N-methylanilino)-2-oxoethyl] (E)-3-(3-bromophenyl)prop-2-enoate
CID 2549174
ethyl 3-[3-[(4-bromophenyl)methylamino]phenyl]prop-2-enoate
CID 72524579
[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] (E)-3-(3-bromophenyl)prop-2-enoate
CID 7628370
ethyl (E)-3-[3-(difluoromethyl)phenyl]prop-2-enoate
CID 58767963
methyl 3-(3-ethoxy-3-oxoprop-1-enyl)benzoate
CID 54092134
ethyl acetate;ethyl (E)-3-phenylprop-2-enoate
CID 163289975

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-(3-bromophenyl)prop-2-enoate?
The IUPAC name of ethyl (Z)-3-(3-bromophenyl)prop-2-enoate (CID 124561754) is ethyl (Z)-3-(3-bromophenyl)prop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-(3-bromophenyl)prop-2-enoate?
The canonical SMILES for ethyl (Z)-3-(3-bromophenyl)prop-2-enoate is CCOC(=O)/C=C\c1cccc(Br)c1.
What is the InChIKey of ethyl (Z)-3-(3-bromophenyl)prop-2-enoate?
The InChIKey is MSSAFCYKWMNVMZ-SREVYHEPSA-N. The full InChI is InChI=1S/C11H11BrO2/c1-2-14-11(13)7-6-9-4-3-5-10(12)8-9/h3-8H,2H2,1H3/b7-6-.
What are the key properties of ethyl (Z)-3-(3-bromophenyl)prop-2-enoate?
ethyl (Z)-3-(3-bromophenyl)prop-2-enoate has a molecular weight of 255.11 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-(3-bromophenyl)prop-2-enoate is sourced from PubChem (CID 124561754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).