[4-[4-(bromomethyl)phenyl]phenyl]-phenylmethanone

C20H15BrO — CID 19742105

IUPAC[4-[4-(bromomethyl)phenyl]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(-c2ccc(CBr)cc2)cc1
InChIInChI=1S/C20H15BrO/c21-14-15-6-8-16(9-7-15)17-10-12-19(13-11-17)20(22)18-4-2-1-3-5-18/h1-13H,14H2
InChIKeyFFWAXKPTWZURDQ-UHFFFAOYSA-N
MW351.24 g/mol
LogP5.48
Rot. Bonds4

About [4-[4-(bromomethyl)phenyl]phenyl]-phenylmethanone

[4-[4-(bromomethyl)phenyl]phenyl]-phenylmethanone (PubChem CID 19742105) has the molecular formula C20H15BrO and a molecular weight of 351.24 g/mol. Its IUPAC name is [4-[4-(bromomethyl)phenyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[4-(bromomethyl)phenyl]phenyl]-phenylmethanone
PubChem CID19742105
Molecular FormulaC20H15BrO
Molecular Weight351.24 g/mol
Exact Mass350.03
IUPAC Name[4-[4-(bromomethyl)phenyl]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(-c2ccc(CBr)cc2)cc1
InChIInChI=1S/C20H15BrO/c21-14-15-6-8-16(9-7-15)17-10-12-19(13-11-17)20(22)18-4-2-1-3-5-18/h1-13H,14H2
InChIKeyFFWAXKPTWZURDQ-UHFFFAOYSA-N
XLogP5.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.24
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bromomethylbenzene;diphenylmethanone
CID 159613438
phenyl-(4-phenylphenyl)methanone
CID 155775877
1,1'-biphenyl;1-(bromomethyl)-4-phenylbenzene
CID 174560327
ethane;[4-[4-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanone
CID 159022602
[4-[4-(bromomethyl)phenyl]phenyl]-(3,4-dichlorophenyl)methanone
CID 19043698
4-[4-(bromomethyl)phenyl]benzamide
CID 123362022
1-(bromomethyl)-4-(1,2,2-triphenylethenyl)benzene;ethane
CID 144540083
[4-(4-boranylphenyl)phenyl]-phenylmethanone
CID 88897170
[3-(4-phenylbenzoyl)phenyl]-(4-phenylphenyl)methanone
CID 19009361
diphenylmethanone;ethane
CID 158014879
diphenylmethanone
CID 3102
4-(bromomethyl)benzoic acid;hydrobromide
CID 67089483

Frequently Asked Questions

What is the IUPAC name of [4-[4-(bromomethyl)phenyl]phenyl]-phenylmethanone?
The IUPAC name of [4-[4-(bromomethyl)phenyl]phenyl]-phenylmethanone (CID 19742105) is [4-[4-(bromomethyl)phenyl]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[4-(bromomethyl)phenyl]phenyl]-phenylmethanone?
The canonical SMILES for [4-[4-(bromomethyl)phenyl]phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccc(-c2ccc(CBr)cc2)cc1.
What is the InChIKey of [4-[4-(bromomethyl)phenyl]phenyl]-phenylmethanone?
The InChIKey is FFWAXKPTWZURDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrO/c21-14-15-6-8-16(9-7-15)17-10-12-19(13-11-17)20(22)18-4-2-1-3-5-18/h1-13H,14H2.
What are the key properties of [4-[4-(bromomethyl)phenyl]phenyl]-phenylmethanone?
[4-[4-(bromomethyl)phenyl]phenyl]-phenylmethanone has a molecular weight of 351.24 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(bromomethyl)phenyl]phenyl]-phenylmethanone is sourced from PubChem (CID 19742105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).