1-(bromomethyl)-4-[4-(bromomethyl)phenyl]benzene

C14H12Br2 — CID 621238

IUPAC1-(bromomethyl)-4-[4-(bromomethyl)phenyl]benzene
SMILESBrCc1ccc(-c2ccc(CBr)cc2)cc1
InChIInChI=1S/C14H12Br2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-8H,9-10H2
InChIKeyHMUGRILXVBKBID-UHFFFAOYSA-N
MW340.06 g/mol
LogP5.14
Rot. Bonds3

About 1-(bromomethyl)-4-[4-(bromomethyl)phenyl]benzene

1-(bromomethyl)-4-[4-(bromomethyl)phenyl]benzene (PubChem CID 621238) has the molecular formula C14H12Br2 and a molecular weight of 340.06 g/mol. Its IUPAC name is 1-(bromomethyl)-4-[4-(bromomethyl)phenyl]benzene.

Molecular Properties

Compound Name1-(bromomethyl)-4-[4-(bromomethyl)phenyl]benzene
PubChem CID621238
Molecular FormulaC14H12Br2
Molecular Weight340.06 g/mol
Exact Mass337.93
IUPAC Name1-(bromomethyl)-4-[4-(bromomethyl)phenyl]benzene
SMILESBrCc1ccc(-c2ccc(CBr)cc2)cc1
InChIInChI=1S/C14H12Br2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-8H,9-10H2
InChIKeyHMUGRILXVBKBID-UHFFFAOYSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.06
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-4-[4-(bromomethyl)phenyl]benzene?
The IUPAC name of 1-(bromomethyl)-4-[4-(bromomethyl)phenyl]benzene (CID 621238) is 1-(bromomethyl)-4-[4-(bromomethyl)phenyl]benzene.
What is the SMILES notation for 1-(bromomethyl)-4-[4-(bromomethyl)phenyl]benzene?
The canonical SMILES for 1-(bromomethyl)-4-[4-(bromomethyl)phenyl]benzene is BrCc1ccc(-c2ccc(CBr)cc2)cc1.
What is the InChIKey of 1-(bromomethyl)-4-[4-(bromomethyl)phenyl]benzene?
The InChIKey is HMUGRILXVBKBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-8H,9-10H2.
What are the key properties of 1-(bromomethyl)-4-[4-(bromomethyl)phenyl]benzene?
1-(bromomethyl)-4-[4-(bromomethyl)phenyl]benzene has a molecular weight of 340.06 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-4-[4-(bromomethyl)phenyl]benzene is sourced from PubChem (CID 621238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).