(Z)-2-(bromomethyl)-1,3-diphenylprop-2-en-1-one

C16H13BrO — CID 5475883

IUPAC(Z)-2-(bromomethyl)-1,3-diphenylprop-2-en-1-one
SMILESO=C(/C(=C/c1ccccc1)CBr)c1ccccc1
InChIInChI=1S/C16H13BrO/c17-12-15(11-13-7-3-1-4-8-13)16(18)14-9-5-2-6-10-14/h1-11H,12H2/b15-11+
InChIKeyUODNKPNEWOIIAE-RVDMUPIBSA-N
MW301.18 g/mol
LogP4.35
Rot. Bonds4

About (Z)-2-(bromomethyl)-1,3-diphenylprop-2-en-1-one

(Z)-2-(bromomethyl)-1,3-diphenylprop-2-en-1-one (PubChem CID 5475883) has the molecular formula C16H13BrO and a molecular weight of 301.18 g/mol. Its IUPAC name is (Z)-2-(bromomethyl)-1,3-diphenylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-2-(bromomethyl)-1,3-diphenylprop-2-en-1-one
PubChem CID5475883
Molecular FormulaC16H13BrO
Molecular Weight301.18 g/mol
Exact Mass300.01
IUPAC Name(Z)-2-(bromomethyl)-1,3-diphenylprop-2-en-1-one
SMILESO=C(/C(=C/c1ccccc1)CBr)c1ccccc1
InChIInChI=1S/C16H13BrO/c17-12-15(11-13-7-3-1-4-8-13)16(18)14-9-5-2-6-10-14/h1-11H,12H2/b15-11+
InChIKeyUODNKPNEWOIIAE-RVDMUPIBSA-N
XLogP4.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-3-phenylprop-2-enoic acid
CID 4155481
ethyl (Z)-2-(bromomethyl)-3-phenyl(313C)prop-2-enoate
CID 11369236
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
(E)-2-[(dimethylamino)methyl]-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
CID 158443747
(Z)-2-[(Z)-3-oxo-1,3-diphenylprop-1-en-2-yl]sulfanyl-1,3-diphenylprop-2-en-1-one
CID 11476367
(Z)-2-(bromomethyl)-3-(4-carbonobromidoylphenyl)prop-2-enoic acid
CID 23443537
2-benzylidene-1-(4-methylphenyl)heptan-1-one
CID 156784822
(E)-3-benzoyl-2-oxo-4-phenylbut-3-enoic acid
CID 9467692
2-butoxy-1,3-diphenylprop-2-en-1-one
CID 57177461
1,2-diphenylethane-1,2-dione bromide
CID 86754555
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(bromomethyl)-1,3-diphenylprop-2-en-1-one?
The IUPAC name of (Z)-2-(bromomethyl)-1,3-diphenylprop-2-en-1-one (CID 5475883) is (Z)-2-(bromomethyl)-1,3-diphenylprop-2-en-1-one.
What is the SMILES notation for (Z)-2-(bromomethyl)-1,3-diphenylprop-2-en-1-one?
The canonical SMILES for (Z)-2-(bromomethyl)-1,3-diphenylprop-2-en-1-one is O=C(/C(=C/c1ccccc1)CBr)c1ccccc1.
What is the InChIKey of (Z)-2-(bromomethyl)-1,3-diphenylprop-2-en-1-one?
The InChIKey is UODNKPNEWOIIAE-RVDMUPIBSA-N. The full InChI is InChI=1S/C16H13BrO/c17-12-15(11-13-7-3-1-4-8-13)16(18)14-9-5-2-6-10-14/h1-11H,12H2/b15-11+.
What are the key properties of (Z)-2-(bromomethyl)-1,3-diphenylprop-2-en-1-one?
(Z)-2-(bromomethyl)-1,3-diphenylprop-2-en-1-one has a molecular weight of 301.18 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(bromomethyl)-1,3-diphenylprop-2-en-1-one is sourced from PubChem (CID 5475883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).