bromomethylbenzene;diphenylmethanone

C20H17BrO — CID 159613438

IUPACbromomethylbenzene;diphenylmethanone
SMILESBrCc1ccccc1.O=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H10O.C7H7Br/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;8-6-7-4-2-1-3-5-7/h1-10H;1-5H,6H2
InChIKeyMMZMDLROCWBKKO-UHFFFAOYSA-N
MW353.26 g/mol
LogP5.50
Rot. Bonds3

About bromomethylbenzene;diphenylmethanone

bromomethylbenzene;diphenylmethanone (PubChem CID 159613438) has the molecular formula C20H17BrO and a molecular weight of 353.26 g/mol. Its IUPAC name is bromomethylbenzene;diphenylmethanone.

Molecular Properties

Compound Namebromomethylbenzene;diphenylmethanone
PubChem CID159613438
Molecular FormulaC20H17BrO
Molecular Weight353.26 g/mol
Exact Mass352.05
IUPAC Namebromomethylbenzene;diphenylmethanone
SMILESBrCc1ccccc1.O=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H10O.C7H7Br/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;8-6-7-4-2-1-3-5-7/h1-10H;1-5H,6H2
InChIKeyMMZMDLROCWBKKO-UHFFFAOYSA-N
XLogP5.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.26
LogP ≤ 55.50
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

[4-[4-(bromomethyl)phenyl]phenyl]-phenylmethanone
CID 19742105
diphenylmethanone;ethane
CID 158014879
diphenylmethanone
CID 3102
disodium;diphenylmethanone
CID 19380838
cobalt(2+);diphenylmethanone
CID 19033779
diphenylmethanone;gold
CID 174931146
bis(diphenylmethanone);dihydrochloride
CID 69107757
1,2-diphenylethanone;diphenylmethanone
CID 141067729
diphenylmethanone;hydron;fluoride
CID 21465824
magnesium;diphenylmethanone;hydride
CID 175114327
[2,4-bis(bromomethyl)phenyl]-phenylmethanone
CID 171474668
bromomethylbenzene;phenol
CID 67440564

Frequently Asked Questions

What is the IUPAC name of bromomethylbenzene;diphenylmethanone?
The IUPAC name of bromomethylbenzene;diphenylmethanone (CID 159613438) is bromomethylbenzene;diphenylmethanone.
What is the SMILES notation for bromomethylbenzene;diphenylmethanone?
The canonical SMILES for bromomethylbenzene;diphenylmethanone is BrCc1ccccc1.O=C(c1ccccc1)c1ccccc1.
What is the InChIKey of bromomethylbenzene;diphenylmethanone?
The InChIKey is MMZMDLROCWBKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O.C7H7Br/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;8-6-7-4-2-1-3-5-7/h1-10H;1-5H,6H2.
What are the key properties of bromomethylbenzene;diphenylmethanone?
bromomethylbenzene;diphenylmethanone has a molecular weight of 353.26 g/mol, XLogP of 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethylbenzene;diphenylmethanone is sourced from PubChem (CID 159613438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).