phenyl 4-[(E)-2-bromoethenyl]benzoate

C15H11BrO2 — CID 102410543

IUPACphenyl 4-[(E)-2-bromoethenyl]benzoate
SMILESO=C(Oc1ccccc1)c1ccc(/C=C/Br)cc1
InChIInChI=1S/C15H11BrO2/c16-11-10-12-6-8-13(9-7-12)15(17)18-14-4-2-1-3-5-14/h1-11H/b11-10+
InChIKeyNOOTTZHMGIPZNS-ZHACJKMWSA-N
MW303.16 g/mol
LogP4.27
Rot. Bonds3

About phenyl 4-[(E)-2-bromoethenyl]benzoate

phenyl 4-[(E)-2-bromoethenyl]benzoate (PubChem CID 102410543) has the molecular formula C15H11BrO2 and a molecular weight of 303.16 g/mol. Its IUPAC name is phenyl 4-[(E)-2-bromoethenyl]benzoate.

Molecular Properties

Compound Namephenyl 4-[(E)-2-bromoethenyl]benzoate
PubChem CID102410543
Molecular FormulaC15H11BrO2
Molecular Weight303.16 g/mol
Exact Mass301.99
IUPAC Namephenyl 4-[(E)-2-bromoethenyl]benzoate
SMILESO=C(Oc1ccccc1)c1ccc(/C=C/Br)cc1
InChIInChI=1S/C15H11BrO2/c16-11-10-12-6-8-13(9-7-12)15(17)18-14-4-2-1-3-5-14/h1-11H/b11-10+
InChIKeyNOOTTZHMGIPZNS-ZHACJKMWSA-N
XLogP4.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

phenyl 4-[(E)-but-1-enyl]benzoate
CID 19373818
[4-[2-[3,5,6-tris[2-(4-benzoyloxyphenyl)ethenyl]pyrazin-2-yl]ethenyl]phenyl] benzoate
CID 54020846
benzyl 4-[(E)-2-bromoethenyl]benzoate
CID 102410542
[4-[(1E,6E)-7-(4-benzoyloxyphenyl)-3,5-dioxohepta-1,6-dienyl]phenyl] benzoate
CID 45276598
naphthalen-1-yl 4-[(Z)-2-bromoethenyl]benzoate
CID 44606290
(Z)-but-2-enedioic acid;phenyl benzoate
CID 172830010
phenyl 4-formyloxybenzoate
CID 118686744
bis[4-(2-oxo-2-phenylacetyl)phenyl] benzene-1,4-dicarboxylate
CID 4643274
1-O-[2-(4-phenoxycarbonylbenzoyl)oxyethyl] 4-O-phenyl benzene-1,4-dicarboxylate
CID 154278572
phenyl 3-[4-(3-oxo-3-phenoxyprop-1-enyl)phenyl]prop-2-enoate
CID 86184537
(4-phenoxycarbonylphenyl)-diphenylazanium
CID 163826760
phenyl 4-tert-butylbenzoate
CID 733785

Frequently Asked Questions

What is the IUPAC name of phenyl 4-[(E)-2-bromoethenyl]benzoate?
The IUPAC name of phenyl 4-[(E)-2-bromoethenyl]benzoate (CID 102410543) is phenyl 4-[(E)-2-bromoethenyl]benzoate.
What is the SMILES notation for phenyl 4-[(E)-2-bromoethenyl]benzoate?
The canonical SMILES for phenyl 4-[(E)-2-bromoethenyl]benzoate is O=C(Oc1ccccc1)c1ccc(/C=C/Br)cc1.
What is the InChIKey of phenyl 4-[(E)-2-bromoethenyl]benzoate?
The InChIKey is NOOTTZHMGIPZNS-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H11BrO2/c16-11-10-12-6-8-13(9-7-12)15(17)18-14-4-2-1-3-5-14/h1-11H/b11-10+.
What are the key properties of phenyl 4-[(E)-2-bromoethenyl]benzoate?
phenyl 4-[(E)-2-bromoethenyl]benzoate has a molecular weight of 303.16 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-[(E)-2-bromoethenyl]benzoate is sourced from PubChem (CID 102410543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).