1,4-bis(bromomethyl)benzene;1-(bromomethyl)-2-[2-(bromomethyl)phenyl]benzene;ethane

C24H26Br4 — CID 145424185

IUPAC1,4-bis(bromomethyl)benzene;1-(bromomethyl)-2-[2-(bromomethyl)phenyl]benzene;ethane
SMILESBrCc1ccc(CBr)cc1.BrCc1ccccc1-c1ccccc1CBr.CC
InChIInChI=1S/C14H12Br2.C8H8Br2.C2H6/c15-9-11-5-1-3-7-13(11)14-8-4-2-6-12(14)10-16;9-5-7-1-2-8(6-10)4-3-7;1-2/h1-8H,9-10H2;1-4H,5-6H2;1-2H3
InChIKeySNAVWAJQZKRCGS-UHFFFAOYSA-N
MW634.09 g/mol
LogP9.65
Rot. Bonds5

About 1,4-bis(bromomethyl)benzene;1-(bromomethyl)-2-[2-(bromomethyl)phenyl]benzene;ethane

1,4-bis(bromomethyl)benzene;1-(bromomethyl)-2-[2-(bromomethyl)phenyl]benzene;ethane (PubChem CID 145424185) has the molecular formula C24H26Br4 and a molecular weight of 634.09 g/mol. Its IUPAC name is 1,4-bis(bromomethyl)benzene;1-(bromomethyl)-2-[2-(bromomethyl)phenyl]benzene;ethane.

Molecular Properties

Compound Name1,4-bis(bromomethyl)benzene;1-(bromomethyl)-2-[2-(bromomethyl)phenyl]benzene;ethane
PubChem CID145424185
Molecular FormulaC24H26Br4
Molecular Weight634.09 g/mol
Exact Mass629.88
IUPAC Name1,4-bis(bromomethyl)benzene;1-(bromomethyl)-2-[2-(bromomethyl)phenyl]benzene;ethane
SMILESBrCc1ccc(CBr)cc1.BrCc1ccccc1-c1ccccc1CBr.CC
InChIInChI=1S/C14H12Br2.C8H8Br2.C2H6/c15-9-11-5-1-3-7-13(11)14-8-4-2-6-12(14)10-16;9-5-7-1-2-8(6-10)4-3-7;1-2/h1-8H,9-10H2;1-4H,5-6H2;1-2H3
InChIKeySNAVWAJQZKRCGS-UHFFFAOYSA-N
XLogP9.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.09
LogP ≤ 59.65
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 1,4-bis(bromomethyl)benzene;1-(bromomethyl)-2-[2-(bromomethyl)phenyl]benzene;ethane?
The IUPAC name of 1,4-bis(bromomethyl)benzene;1-(bromomethyl)-2-[2-(bromomethyl)phenyl]benzene;ethane (CID 145424185) is 1,4-bis(bromomethyl)benzene;1-(bromomethyl)-2-[2-(bromomethyl)phenyl]benzene;ethane.
What is the SMILES notation for 1,4-bis(bromomethyl)benzene;1-(bromomethyl)-2-[2-(bromomethyl)phenyl]benzene;ethane?
The canonical SMILES for 1,4-bis(bromomethyl)benzene;1-(bromomethyl)-2-[2-(bromomethyl)phenyl]benzene;ethane is BrCc1ccc(CBr)cc1.BrCc1ccccc1-c1ccccc1CBr.CC.
What is the InChIKey of 1,4-bis(bromomethyl)benzene;1-(bromomethyl)-2-[2-(bromomethyl)phenyl]benzene;ethane?
The InChIKey is SNAVWAJQZKRCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2.C8H8Br2.C2H6/c15-9-11-5-1-3-7-13(11)14-8-4-2-6-12(14)10-16;9-5-7-1-2-8(6-10)4-3-7;1-2/h1-8H,9-10H2;1-4H,5-6H2;1-2H3.
What are the key properties of 1,4-bis(bromomethyl)benzene;1-(bromomethyl)-2-[2-(bromomethyl)phenyl]benzene;ethane?
1,4-bis(bromomethyl)benzene;1-(bromomethyl)-2-[2-(bromomethyl)phenyl]benzene;ethane has a molecular weight of 634.09 g/mol, XLogP of 9.65, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(bromomethyl)benzene;1-(bromomethyl)-2-[2-(bromomethyl)phenyl]benzene;ethane is sourced from PubChem (CID 145424185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).