(4-bromophenyl) 4-ethenylbenzoate

C15H11BrO2 — CID 102322748

IUPAC(4-bromophenyl) 4-ethenylbenzoate
SMILESC=Cc1ccc(C(=O)Oc2ccc(Br)cc2)cc1
InChIInChI=1S/C15H11BrO2/c1-2-11-3-5-12(6-4-11)15(17)18-14-9-7-13(16)8-10-14/h2-10H,1H2
InChIKeyVAVPFUKEQIWRFW-UHFFFAOYSA-N
MW303.16 g/mol
LogP4.31
Rot. Bonds3

About (4-bromophenyl) 4-ethenylbenzoate

(4-bromophenyl) 4-ethenylbenzoate (PubChem CID 102322748) has the molecular formula C15H11BrO2 and a molecular weight of 303.16 g/mol. Its IUPAC name is (4-bromophenyl) 4-ethenylbenzoate.

Molecular Properties

Compound Name(4-bromophenyl) 4-ethenylbenzoate
PubChem CID102322748
Molecular FormulaC15H11BrO2
Molecular Weight303.16 g/mol
Exact Mass301.99
IUPAC Name(4-bromophenyl) 4-ethenylbenzoate
SMILESC=Cc1ccc(C(=O)Oc2ccc(Br)cc2)cc1
InChIInChI=1S/C15H11BrO2/c1-2-11-3-5-12(6-4-11)15(17)18-14-9-7-13(16)8-10-14/h2-10H,1H2
InChIKeyVAVPFUKEQIWRFW-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
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

(4-ethenylphenyl) 4-(4-cyanophenyl)benzoate
CID 134412865
[4-[(acetylhydrazinylidene)methyl]phenyl] 4-bromobenzoate
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[4-[(E)-3-(4-methylphenyl)prop-2-enoyl]phenyl] 4-bromobenzoate
CID 6267484
(4-bromophenyl) 4-cyanobenzoate
CID 2667092
(4-cyanophenyl) 4-bromobenzoate
CID 7741401
[4-[(4-methylphenyl)iminomethyl]phenyl] 4-bromobenzoate
CID 102305242
[4-(4-bromobenzoyl)phenyl] prop-2-enoate
CID 67394017
(4-bromophenyl) 4-methylsulfonylbenzoate
CID 26096451
1-bromo-4-ethenylbenzene;formic acid
CID 175935550
(4-ethenylphenyl) 2,3,4,5,6-pentafluorobenzoate
CID 87179064
(4-propylphenyl) 4-bromobenzoate
CID 19184745
[4-[[[2-(4-bromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 5050842

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl) 4-ethenylbenzoate?
The IUPAC name of (4-bromophenyl) 4-ethenylbenzoate (CID 102322748) is (4-bromophenyl) 4-ethenylbenzoate.
What is the SMILES notation for (4-bromophenyl) 4-ethenylbenzoate?
The canonical SMILES for (4-bromophenyl) 4-ethenylbenzoate is C=Cc1ccc(C(=O)Oc2ccc(Br)cc2)cc1.
What is the InChIKey of (4-bromophenyl) 4-ethenylbenzoate?
The InChIKey is VAVPFUKEQIWRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrO2/c1-2-11-3-5-12(6-4-11)15(17)18-14-9-7-13(16)8-10-14/h2-10H,1H2.
What are the key properties of (4-bromophenyl) 4-ethenylbenzoate?
(4-bromophenyl) 4-ethenylbenzoate has a molecular weight of 303.16 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl) 4-ethenylbenzoate is sourced from PubChem (CID 102322748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).