(4-bromophenyl) 3-phenylprop-2-enoate

C15H11BrO2 — CID 759220

IUPAC(4-bromophenyl) 3-phenylprop-2-enoate
SMILESO=C(C=Cc1ccccc1)Oc1ccc(Br)cc1
InChIInChI=1S/C15H11BrO2/c16-13-7-9-14(10-8-13)18-15(17)11-6-12-4-2-1-3-5-12/h1-11H
InChIKeyFXZAPECDHLNXCB-UHFFFAOYSA-N
MW303.16 g/mol
LogP4.07
Rot. Bonds3

About (4-bromophenyl) 3-phenylprop-2-enoate

(4-bromophenyl) 3-phenylprop-2-enoate (PubChem CID 759220) has the molecular formula C15H11BrO2 and a molecular weight of 303.16 g/mol. Its IUPAC name is (4-bromophenyl) 3-phenylprop-2-enoate.

Molecular Properties

Compound Name(4-bromophenyl) 3-phenylprop-2-enoate
PubChem CID759220
Molecular FormulaC15H11BrO2
Molecular Weight303.16 g/mol
Exact Mass301.99
IUPAC Name(4-bromophenyl) 3-phenylprop-2-enoate
SMILESO=C(C=Cc1ccccc1)Oc1ccc(Br)cc1
InChIInChI=1S/C15H11BrO2/c16-13-7-9-14(10-8-13)18-15(17)11-6-12-4-2-1-3-5-12/h1-11H
InChIKeyFXZAPECDHLNXCB-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-hydroxyphenyl) (E)-3-phenylprop-2-enoate
CID 639941
ethane;phenyl 3-phenylprop-2-enoate
CID 90878305
phenyl 3-[4-(3-oxo-3-phenoxyprop-1-enyl)phenyl]prop-2-enoate
CID 86184537
(4-aminophenyl) (E)-3-phenylprop-2-enoate
CID 87778224
[4-[[2-[[4-[(E)-3-(4-bromophenyl)prop-2-enoyl]oxyphenyl]methylideneamino]phenyl]iminomethyl]phenyl] (E)-3-(4-bromophenyl)prop-2-enoate
CID 46501628
[4-(bromomethyl)phenyl] 3-phenylprop-2-enoate
CID 67745574
[3,5-bis[[(E)-3-phenylprop-2-enoyl]oxy]phenyl] (E)-3-phenylprop-2-enoate
CID 59860900
[4-[(E)-3-oxobut-1-enyl]phenyl] (Z)-3-phenylprop-2-enoate
CID 92529146
(4-bromo-3-methylphenyl) (E)-3-phenylprop-2-enoate
CID 922289
5-bromo-2-[(E)-3-phenylprop-2-enoyl]oxybenzoic acid
CID 54854493
[4-(3-phenylprop-2-enoylamino)phenyl] 3-phenylprop-2-enoate
CID 1234500
phenyl (E)-3-[4-(2-phenoxyethoxy)phenyl]prop-2-enoate
CID 89388699

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl) 3-phenylprop-2-enoate?
The IUPAC name of (4-bromophenyl) 3-phenylprop-2-enoate (CID 759220) is (4-bromophenyl) 3-phenylprop-2-enoate.
What is the SMILES notation for (4-bromophenyl) 3-phenylprop-2-enoate?
The canonical SMILES for (4-bromophenyl) 3-phenylprop-2-enoate is O=C(C=Cc1ccccc1)Oc1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl) 3-phenylprop-2-enoate?
The InChIKey is FXZAPECDHLNXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrO2/c16-13-7-9-14(10-8-13)18-15(17)11-6-12-4-2-1-3-5-12/h1-11H.
What are the key properties of (4-bromophenyl) 3-phenylprop-2-enoate?
(4-bromophenyl) 3-phenylprop-2-enoate has a molecular weight of 303.16 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl) 3-phenylprop-2-enoate is sourced from PubChem (CID 759220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).