4-bromo-2-(chloromethyl)-1-phenylbenzene

C13H10BrCl — CID 57057956

IUPAC4-bromo-2-(chloromethyl)-1-phenylbenzene
SMILESClCc1cc(Br)ccc1-c1ccccc1
InChIInChI=1S/C13H10BrCl/c14-12-6-7-13(11(8-12)9-15)10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyZOFHBTFLYWGYMM-UHFFFAOYSA-N
MW281.58 g/mol
LogP4.85
Rot. Bonds2

About 4-bromo-2-(chloromethyl)-1-phenylbenzene

4-bromo-2-(chloromethyl)-1-phenylbenzene (PubChem CID 57057956) has the molecular formula C13H10BrCl and a molecular weight of 281.58 g/mol. Its IUPAC name is 4-bromo-2-(chloromethyl)-1-phenylbenzene.

Molecular Properties

Compound Name4-bromo-2-(chloromethyl)-1-phenylbenzene
PubChem CID57057956
Molecular FormulaC13H10BrCl
Molecular Weight281.58 g/mol
Exact Mass279.97
IUPAC Name4-bromo-2-(chloromethyl)-1-phenylbenzene
SMILESClCc1cc(Br)ccc1-c1ccccc1
InChIInChI=1S/C13H10BrCl/c14-12-6-7-13(11(8-12)9-15)10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyZOFHBTFLYWGYMM-UHFFFAOYSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.58
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(5-bromo-2-phenylphenyl)methanol
CID 59266499
2-[(5-bromo-2-phenylphenyl)methyl]-5-chlorothiophene
CID 66607868
4-bromo-2-chloro-1-phenylbenzene
CID 13457416
2-bromo-4-(chloromethyl)-1-phenylbenzene
CID 174628158
3-chloro-1-(chloromethyl)-2-methoxy-4-phenylbenzene
CID 175927011
4-bromo-2-(bromomethyl)-1-(chloromethyl)benzene
CID 90107482
7,10-dibromo-1,4-diphenyltriphenylene
CID 142691015
5-bromo-N-methyl-2-phenylaniline
CID 69363671
3-(chloromethyl)-4-phenylpyridine
CID 130967396
4-bromo-2-methoxy-1-phenylbenzene
CID 18379655
[2-(3-bromophenyl)phenyl]methanol
CID 1393420
1-(3-bromophenyl)-4-chloro-2-phenylbenzene
CID 166487710

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(chloromethyl)-1-phenylbenzene?
The IUPAC name of 4-bromo-2-(chloromethyl)-1-phenylbenzene (CID 57057956) is 4-bromo-2-(chloromethyl)-1-phenylbenzene.
What is the SMILES notation for 4-bromo-2-(chloromethyl)-1-phenylbenzene?
The canonical SMILES for 4-bromo-2-(chloromethyl)-1-phenylbenzene is ClCc1cc(Br)ccc1-c1ccccc1.
What is the InChIKey of 4-bromo-2-(chloromethyl)-1-phenylbenzene?
The InChIKey is ZOFHBTFLYWGYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl/c14-12-6-7-13(11(8-12)9-15)10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 4-bromo-2-(chloromethyl)-1-phenylbenzene?
4-bromo-2-(chloromethyl)-1-phenylbenzene has a molecular weight of 281.58 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(chloromethyl)-1-phenylbenzene is sourced from PubChem (CID 57057956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).