[(E)-3-(4-bromophenyl)prop-2-enyl] acetate

C11H11BrO2 — CID 19769955

IUPAC[(E)-3-(4-bromophenyl)prop-2-enyl] acetate
SMILESCC(=O)OC/C=C/c1ccc(Br)cc1
InChIInChI=1S/C11H11BrO2/c1-9(13)14-8-2-3-10-4-6-11(12)7-5-10/h2-7H,8H2,1H3/b3-2+
InChIKeyVVZGJLGDJHCLPQ-NSCUHMNNSA-N
MW255.11 g/mol
LogP3.03
Rot. Bonds3

About [(E)-3-(4-bromophenyl)prop-2-enyl] acetate

[(E)-3-(4-bromophenyl)prop-2-enyl] acetate (PubChem CID 19769955) has the molecular formula C11H11BrO2 and a molecular weight of 255.11 g/mol. Its IUPAC name is [(E)-3-(4-bromophenyl)prop-2-enyl] acetate.

Molecular Properties

Compound Name[(E)-3-(4-bromophenyl)prop-2-enyl] acetate
PubChem CID19769955
Molecular FormulaC11H11BrO2
Molecular Weight255.11 g/mol
Exact Mass253.99
IUPAC Name[(E)-3-(4-bromophenyl)prop-2-enyl] acetate
SMILESCC(=O)OC/C=C/c1ccc(Br)cc1
InChIInChI=1S/C11H11BrO2/c1-9(13)14-8-2-3-10-4-6-11(12)7-5-10/h2-7H,8H2,1H3/b3-2+
InChIKeyVVZGJLGDJHCLPQ-NSCUHMNNSA-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

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-(4-bromophenyl)prop-2-enyl] acetate?
The IUPAC name of [(E)-3-(4-bromophenyl)prop-2-enyl] acetate (CID 19769955) is [(E)-3-(4-bromophenyl)prop-2-enyl] acetate.
What is the SMILES notation for [(E)-3-(4-bromophenyl)prop-2-enyl] acetate?
The canonical SMILES for [(E)-3-(4-bromophenyl)prop-2-enyl] acetate is CC(=O)OC/C=C/c1ccc(Br)cc1.
What is the InChIKey of [(E)-3-(4-bromophenyl)prop-2-enyl] acetate?
The InChIKey is VVZGJLGDJHCLPQ-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H11BrO2/c1-9(13)14-8-2-3-10-4-6-11(12)7-5-10/h2-7H,8H2,1H3/b3-2+.
What are the key properties of [(E)-3-(4-bromophenyl)prop-2-enyl] acetate?
[(E)-3-(4-bromophenyl)prop-2-enyl] acetate 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 [(E)-3-(4-bromophenyl)prop-2-enyl] acetate is sourced from PubChem (CID 19769955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).