4-bromo-1-[[[4-bromo-2-(bromomethyl)phenyl]-phenylmethoxy]-phenylmethyl]-2-(bromomethyl)benzene

C28H22Br4O — CID 139712111

IUPAC4-bromo-1-[[[4-bromo-2-(bromomethyl)phenyl]-phenylmethoxy]-phenylmethyl]-2-(bromomethyl)benzene
SMILESBrCc1cc(Br)ccc1C(OC(c1ccccc1)c1ccc(Br)cc1CBr)c1ccccc1
InChIInChI=1S/C28H22Br4O/c29-17-21-15-23(31)11-13-25(21)27(19-7-3-1-4-8-19)33-28(20-9-5-2-6-10-20)26-14-12-24(32)16-22(26)18-30/h1-16,27-28H,17-18H2
InChIKeyOPDVZPKCZNJDSA-UHFFFAOYSA-N
MW694.10 g/mol
LogP9.90
Rot. Bonds8

About 4-bromo-1-[[[4-bromo-2-(bromomethyl)phenyl]-phenylmethoxy]-phenylmethyl]-2-(bromomethyl)benzene

4-bromo-1-[[[4-bromo-2-(bromomethyl)phenyl]-phenylmethoxy]-phenylmethyl]-2-(bromomethyl)benzene (PubChem CID 139712111) has the molecular formula C28H22Br4O and a molecular weight of 694.10 g/mol. Its IUPAC name is 4-bromo-1-[[[4-bromo-2-(bromomethyl)phenyl]-phenylmethoxy]-phenylmethyl]-2-(bromomethyl)benzene.

Molecular Properties

Compound Name4-bromo-1-[[[4-bromo-2-(bromomethyl)phenyl]-phenylmethoxy]-phenylmethyl]-2-(bromomethyl)benzene
PubChem CID139712111
Molecular FormulaC28H22Br4O
Molecular Weight694.10 g/mol
Exact Mass689.84
IUPAC Name4-bromo-1-[[[4-bromo-2-(bromomethyl)phenyl]-phenylmethoxy]-phenylmethyl]-2-(bromomethyl)benzene
SMILESBrCc1cc(Br)ccc1C(OC(c1ccccc1)c1ccc(Br)cc1CBr)c1ccccc1
InChIInChI=1S/C28H22Br4O/c29-17-21-15-23(31)11-13-25(21)27(19-7-3-1-4-8-19)33-28(20-9-5-2-6-10-20)26-14-12-24(32)16-22(26)18-30/h1-16,27-28H,17-18H2
InChIKeyOPDVZPKCZNJDSA-UHFFFAOYSA-N
XLogP9.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.10
LogP ≤ 59.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-bromo-1-[[[4-bromo-2-(bromomethyl)phenyl]-phenylmethoxy]-phenylmethyl]-2-(bromomethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-4-bromo-2-(bromomethyl)benzene
CID 54290148
2-methyl-4-[[(3-methyl-4-propan-2-ylphenyl)-phenylmethoxy]-phenylmethyl]-1-propan-2-ylbenzene
CID 69390077
(5-bromo-2-methoxyphenyl)methyl-[(1S)-1-phenylethyl]azanium
CID 7311451
2,4-dibromo-1-[chloro(phenyl)methyl]benzene
CID 107955854
1-[4-bromo-2-(1-phenylethoxy)phenyl]ethanol
CID 102948374
1-bromo-3-(2-bromo-1-phenylethyl)benzene
CID 151109917
4-bromo-1-(bromomethyl)-2-isocyanobenzene
CID 164717115
4-bromo-2-(bromomethyl)-1-(2-methylsulfanylphenoxy)benzene
CID 114061682
2-[2-[(1S)-1-aminoethyl]-5-bromophenoxy]-1-phenylethanol
CID 102947238
1-bromo-3-[1-(1-phenylethoxy)propan-2-yl]benzene
CID 174259329
4-bromo-1-[chloro(phenyl)methyl]-2-methylbenzene
CID 63429179
1-bromo-4-[2-chloroethoxy(phenyl)methyl]benzene
CID 131667562

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[[[4-bromo-2-(bromomethyl)phenyl]-phenylmethoxy]-phenylmethyl]-2-(bromomethyl)benzene?
The IUPAC name of 4-bromo-1-[[[4-bromo-2-(bromomethyl)phenyl]-phenylmethoxy]-phenylmethyl]-2-(bromomethyl)benzene (CID 139712111) is 4-bromo-1-[[[4-bromo-2-(bromomethyl)phenyl]-phenylmethoxy]-phenylmethyl]-2-(bromomethyl)benzene.
What is the SMILES notation for 4-bromo-1-[[[4-bromo-2-(bromomethyl)phenyl]-phenylmethoxy]-phenylmethyl]-2-(bromomethyl)benzene?
The canonical SMILES for 4-bromo-1-[[[4-bromo-2-(bromomethyl)phenyl]-phenylmethoxy]-phenylmethyl]-2-(bromomethyl)benzene is BrCc1cc(Br)ccc1C(OC(c1ccccc1)c1ccc(Br)cc1CBr)c1ccccc1.
What is the InChIKey of 4-bromo-1-[[[4-bromo-2-(bromomethyl)phenyl]-phenylmethoxy]-phenylmethyl]-2-(bromomethyl)benzene?
The InChIKey is OPDVZPKCZNJDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22Br4O/c29-17-21-15-23(31)11-13-25(21)27(19-7-3-1-4-8-19)33-28(20-9-5-2-6-10-20)26-14-12-24(32)16-22(26)18-30/h1-16,27-28H,17-18H2.
What are the key properties of 4-bromo-1-[[[4-bromo-2-(bromomethyl)phenyl]-phenylmethoxy]-phenylmethyl]-2-(bromomethyl)benzene?
4-bromo-1-[[[4-bromo-2-(bromomethyl)phenyl]-phenylmethoxy]-phenylmethyl]-2-(bromomethyl)benzene has a molecular weight of 694.10 g/mol, XLogP of 9.90, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[[[4-bromo-2-(bromomethyl)phenyl]-phenylmethoxy]-phenylmethyl]-2-(bromomethyl)benzene is sourced from PubChem (CID 139712111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).