2-bromo-1,3-bis[4-(bromomethyl)phenyl]benzene

C20H15Br3 — CID 3611718

IUPAC2-bromo-1,3-bis[4-(bromomethyl)phenyl]benzene
SMILESBrCc1ccc(-c2cccc(-c3ccc(CBr)cc3)c2Br)cc1
InChIInChI=1S/C20H15Br3/c21-12-14-4-8-16(9-5-14)18-2-1-3-19(20(18)23)17-10-6-15(13-22)7-11-17/h1-11H,12-13H2
InChIKeyMUMPWBXYWSNHDC-UHFFFAOYSA-N
MW495.05 g/mol
LogP7.57
Rot. Bonds4

About 2-bromo-1,3-bis[4-(bromomethyl)phenyl]benzene

2-bromo-1,3-bis[4-(bromomethyl)phenyl]benzene (PubChem CID 3611718) has the molecular formula C20H15Br3 and a molecular weight of 495.05 g/mol. Its IUPAC name is 2-bromo-1,3-bis[4-(bromomethyl)phenyl]benzene.

Molecular Properties

Compound Name2-bromo-1,3-bis[4-(bromomethyl)phenyl]benzene
PubChem CID3611718
Molecular FormulaC20H15Br3
Molecular Weight495.05 g/mol
Exact Mass491.87
IUPAC Name2-bromo-1,3-bis[4-(bromomethyl)phenyl]benzene
SMILESBrCc1ccc(-c2cccc(-c3ccc(CBr)cc3)c2Br)cc1
InChIInChI=1S/C20H15Br3/c21-12-14-4-8-16(9-5-14)18-2-1-3-19(20(18)23)17-10-6-15(13-22)7-11-17/h1-11H,12-13H2
InChIKeyMUMPWBXYWSNHDC-UHFFFAOYSA-N
XLogP7.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.05
LogP ≤ 57.57
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

2,2'-Dibromobiphenyl
CID 83060
2,6-Dibromobiphenyl
CID 181210
Bromotriphenylmethane
CID 11692
9-Bromophenanthrene
CID 11309
2-Bromobiphenyl
CID 16329
9,10-Dibromoanthracene
CID 68226
9-Bromoanthracene
CID 74062
2,4'-Dibromobiphenyl
CID 154303
2,3'-Dibromobiphenyl
CID 154302
1-Bromo-2-(bromomethyl)naphthalene
CID 37828
7-Bromobenz(a)anthracene
CID 72849
1-Bromo-2-methylnaphthalene
CID 75754

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,3-bis[4-(bromomethyl)phenyl]benzene?
The IUPAC name of 2-bromo-1,3-bis[4-(bromomethyl)phenyl]benzene (CID 3611718) is 2-bromo-1,3-bis[4-(bromomethyl)phenyl]benzene.
What is the SMILES notation for 2-bromo-1,3-bis[4-(bromomethyl)phenyl]benzene?
The canonical SMILES for 2-bromo-1,3-bis[4-(bromomethyl)phenyl]benzene is BrCc1ccc(-c2cccc(-c3ccc(CBr)cc3)c2Br)cc1.
What is the InChIKey of 2-bromo-1,3-bis[4-(bromomethyl)phenyl]benzene?
The InChIKey is MUMPWBXYWSNHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Br3/c21-12-14-4-8-16(9-5-14)18-2-1-3-19(20(18)23)17-10-6-15(13-22)7-11-17/h1-11H,12-13H2.
What are the key properties of 2-bromo-1,3-bis[4-(bromomethyl)phenyl]benzene?
2-bromo-1,3-bis[4-(bromomethyl)phenyl]benzene has a molecular weight of 495.05 g/mol, XLogP of 7.57, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,3-bis[4-(bromomethyl)phenyl]benzene is sourced from PubChem (CID 3611718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).