2-bromo-1-[(3-bromophenyl)methyl]-3-methylbenzene

C14H12Br2 — CID 123745360

IUPAC2-bromo-1-[(3-bromophenyl)methyl]-3-methylbenzene
SMILESCc1cccc(Cc2cccc(Br)c2)c1Br
InChIInChI=1S/C14H12Br2/c1-10-4-2-6-12(14(10)16)8-11-5-3-7-13(15)9-11/h2-7,9H,8H2,1H3
InChIKeyOXSYANOUQORQSC-UHFFFAOYSA-N
MW340.06 g/mol
LogP5.11
Rot. Bonds2

About 2-bromo-1-[(3-bromophenyl)methyl]-3-methylbenzene

2-bromo-1-[(3-bromophenyl)methyl]-3-methylbenzene (PubChem CID 123745360) has the molecular formula C14H12Br2 and a molecular weight of 340.06 g/mol. Its IUPAC name is 2-bromo-1-[(3-bromophenyl)methyl]-3-methylbenzene.

Molecular Properties

Compound Name2-bromo-1-[(3-bromophenyl)methyl]-3-methylbenzene
PubChem CID123745360
Molecular FormulaC14H12Br2
Molecular Weight340.06 g/mol
Exact Mass337.93
IUPAC Name2-bromo-1-[(3-bromophenyl)methyl]-3-methylbenzene
SMILESCc1cccc(Cc2cccc(Br)c2)c1Br
InChIInChI=1S/C14H12Br2/c1-10-4-2-6-12(14(10)16)8-11-5-3-7-13(15)9-11/h2-7,9H,8H2,1H3
InChIKeyOXSYANOUQORQSC-UHFFFAOYSA-N
XLogP5.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.06
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1-(3-bromophenyl)-N-methyl-4-(2-methylphenyl)butan-2-amine
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2-[(3-bromophenyl)methyl]-5-methylthiophene
CID 23103385
2-(3-bromophenyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 100698808
1-bromo-3-ethylbenzene;ethane
CID 143778556
1-bromo-3-ethylbenzene;methane
CID 158533972
[2-[(3-bromophenyl)methyl]phenyl]-diphenylphosphane;hydrobromide
CID 172741829
2-bromo-N-[(3-bromophenyl)methyl]-N,3-dimethylbenzamide
CID 107982324
1-(3-bromophenyl)-3-(3,4-dimethylphenyl)propan-2-one
CID 55186208
4-bromo-2-[(2-methylphenyl)methyl]phenol
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6-[(3-bromophenyl)methyl]-4-hydroxy-3,5-dimethyl-1H-pyridin-2-one
CID 54682743

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[(3-bromophenyl)methyl]-3-methylbenzene?
The IUPAC name of 2-bromo-1-[(3-bromophenyl)methyl]-3-methylbenzene (CID 123745360) is 2-bromo-1-[(3-bromophenyl)methyl]-3-methylbenzene.
What is the SMILES notation for 2-bromo-1-[(3-bromophenyl)methyl]-3-methylbenzene?
The canonical SMILES for 2-bromo-1-[(3-bromophenyl)methyl]-3-methylbenzene is Cc1cccc(Cc2cccc(Br)c2)c1Br.
What is the InChIKey of 2-bromo-1-[(3-bromophenyl)methyl]-3-methylbenzene?
The InChIKey is OXSYANOUQORQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2/c1-10-4-2-6-12(14(10)16)8-11-5-3-7-13(15)9-11/h2-7,9H,8H2,1H3.
What are the key properties of 2-bromo-1-[(3-bromophenyl)methyl]-3-methylbenzene?
2-bromo-1-[(3-bromophenyl)methyl]-3-methylbenzene has a molecular weight of 340.06 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[(3-bromophenyl)methyl]-3-methylbenzene is sourced from PubChem (CID 123745360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).