1-(bromomethyl)-3-[3-(bromomethyl)-2-methylphenyl]-2-methylbenzene

C16H16Br2 — CID 15335999

IUPAC1-(bromomethyl)-3-[3-(bromomethyl)-2-methylphenyl]-2-methylbenzene
SMILESCc1c(CBr)cccc1-c1cccc(CBr)c1C
InChIInChI=1S/C16H16Br2/c1-11-13(9-17)5-3-7-15(11)16-8-4-6-14(10-18)12(16)2/h3-8H,9-10H2,1-2H3
InChIKeyJDBAPBAPAIVFAP-UHFFFAOYSA-N
MW368.11 g/mol
LogP5.76
Rot. Bonds3

About 1-(bromomethyl)-3-[3-(bromomethyl)-2-methylphenyl]-2-methylbenzene

1-(bromomethyl)-3-[3-(bromomethyl)-2-methylphenyl]-2-methylbenzene (PubChem CID 15335999) has the molecular formula C16H16Br2 and a molecular weight of 368.11 g/mol. Its IUPAC name is 1-(bromomethyl)-3-[3-(bromomethyl)-2-methylphenyl]-2-methylbenzene.

Molecular Properties

Compound Name1-(bromomethyl)-3-[3-(bromomethyl)-2-methylphenyl]-2-methylbenzene
PubChem CID15335999
Molecular FormulaC16H16Br2
Molecular Weight368.11 g/mol
Exact Mass365.96
IUPAC Name1-(bromomethyl)-3-[3-(bromomethyl)-2-methylphenyl]-2-methylbenzene
SMILESCc1c(CBr)cccc1-c1cccc(CBr)c1C
InChIInChI=1S/C16H16Br2/c1-11-13(9-17)5-3-7-15(11)16-8-4-6-14(10-18)12(16)2/h3-8H,9-10H2,1-2H3
InChIKeyJDBAPBAPAIVFAP-UHFFFAOYSA-N
XLogP5.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.11
LogP ≤ 55.76
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

1-(bromomethyl)-3-methyl-2-(2-methylphenyl)benzene
CID 152616101
1-bromo-3-[3-(bromomethyl)-2-methylphenyl]propan-2-one
CID 131611010
3-(bromomethyl)-2-methylbenzoate
CID 20520736
1,4-bis(bromomethyl)benzene;1-(bromomethyl)-2-[2-(bromomethyl)phenyl]benzene;ethane
CID 145424185
1-(bromomethyl)-2,3-dimethylbenzene;triphenylphosphane
CID 87191427
1-(bromomethyl)-5-methylnaphthalene
CID 15657418
1-[3-(bromomethyl)-2-methylphenyl]piperidine
CID 121004063
1,3-bis(bromomethyl)-2-chlorobenzene
CID 612956
5-(bromomethyl)naphthalene-1,4-dione
CID 19096555
1-(bromomethyl)-4-fluoro-2,3-dimethylbenzene
CID 91117287
1-bromo-2-methyl-3-(2-propylphenyl)benzene
CID 156726289
1,5,9-tris(bromomethyl)triphenylene
CID 11071234

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-3-[3-(bromomethyl)-2-methylphenyl]-2-methylbenzene?
The IUPAC name of 1-(bromomethyl)-3-[3-(bromomethyl)-2-methylphenyl]-2-methylbenzene (CID 15335999) is 1-(bromomethyl)-3-[3-(bromomethyl)-2-methylphenyl]-2-methylbenzene.
What is the SMILES notation for 1-(bromomethyl)-3-[3-(bromomethyl)-2-methylphenyl]-2-methylbenzene?
The canonical SMILES for 1-(bromomethyl)-3-[3-(bromomethyl)-2-methylphenyl]-2-methylbenzene is Cc1c(CBr)cccc1-c1cccc(CBr)c1C.
What is the InChIKey of 1-(bromomethyl)-3-[3-(bromomethyl)-2-methylphenyl]-2-methylbenzene?
The InChIKey is JDBAPBAPAIVFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2/c1-11-13(9-17)5-3-7-15(11)16-8-4-6-14(10-18)12(16)2/h3-8H,9-10H2,1-2H3.
What are the key properties of 1-(bromomethyl)-3-[3-(bromomethyl)-2-methylphenyl]-2-methylbenzene?
1-(bromomethyl)-3-[3-(bromomethyl)-2-methylphenyl]-2-methylbenzene has a molecular weight of 368.11 g/mol, XLogP of 5.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-3-[3-(bromomethyl)-2-methylphenyl]-2-methylbenzene is sourced from PubChem (CID 15335999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).