1-bromo-4-(3-bromo-2-methyl-3-phenylpropyl)benzene

C16H16Br2 — CID 113460202

IUPAC1-bromo-4-(3-bromo-2-methyl-3-phenylpropyl)benzene
SMILESCC(Cc1ccc(Br)cc1)C(Br)c1ccccc1
InChIInChI=1S/C16H16Br2/c1-12(11-13-7-9-15(17)10-8-13)16(18)14-5-3-2-4-6-14/h2-10,12,16H,11H2,1H3
InChIKeyHIVXVLDIJROMCB-UHFFFAOYSA-N
MW368.11 g/mol
LogP5.76
Rot. Bonds4

About 1-bromo-4-(3-bromo-2-methyl-3-phenylpropyl)benzene

1-bromo-4-(3-bromo-2-methyl-3-phenylpropyl)benzene (PubChem CID 113460202) has the molecular formula C16H16Br2 and a molecular weight of 368.11 g/mol. Its IUPAC name is 1-bromo-4-(3-bromo-2-methyl-3-phenylpropyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(3-bromo-2-methyl-3-phenylpropyl)benzene
PubChem CID113460202
Molecular FormulaC16H16Br2
Molecular Weight368.11 g/mol
Exact Mass365.96
IUPAC Name1-bromo-4-(3-bromo-2-methyl-3-phenylpropyl)benzene
SMILESCC(Cc1ccc(Br)cc1)C(Br)c1ccccc1
InChIInChI=1S/C16H16Br2/c1-12(11-13-7-9-15(17)10-8-13)16(18)14-5-3-2-4-6-14/h2-10,12,16H,11H2,1H3
InChIKeyHIVXVLDIJROMCB-UHFFFAOYSA-N
XLogP5.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
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'}

Analyze 1-bromo-4-(3-bromo-2-methyl-3-phenylpropyl)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-bromo-4-(2-bromopropyl)benzene
CID 63017795
1-(4-bromophenyl)-4-methyl-3-phenylhexan-2-ol
CID 114977568
2-(4-bromophenyl)-1-(1-phenylethylamino)ethanol
CID 91423309
1-(3-bromo-2-methyl-3-phenylpropyl)-3-(trifluoromethyl)benzene
CID 104846538
3-(4-bromophenyl)-2-phenylpropan-1-amine
CID 65429656
5-(3-bromo-2-methyl-3-phenylpropyl)-1,3-thiazole
CID 104846594
1-bromo-4-[1-(4-bromophenyl)propan-2-yl]benzene
CID 11221951
(2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-2-phenylethanol
CID 103522284
(2S)-3-(4-bromophenyl)-2-methylpropanoic acid
CID 59063206
1-[bromo(phenyl)methyl]-4-(2-methylpropyl)benzene
CID 19010746
(1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine
CID 966918
1,4-bis(2-phenylpropyl)benzene
CID 19376086

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(3-bromo-2-methyl-3-phenylpropyl)benzene?
The IUPAC name of 1-bromo-4-(3-bromo-2-methyl-3-phenylpropyl)benzene (CID 113460202) is 1-bromo-4-(3-bromo-2-methyl-3-phenylpropyl)benzene.
What is the SMILES notation for 1-bromo-4-(3-bromo-2-methyl-3-phenylpropyl)benzene?
The canonical SMILES for 1-bromo-4-(3-bromo-2-methyl-3-phenylpropyl)benzene is CC(Cc1ccc(Br)cc1)C(Br)c1ccccc1.
What is the InChIKey of 1-bromo-4-(3-bromo-2-methyl-3-phenylpropyl)benzene?
The InChIKey is HIVXVLDIJROMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2/c1-12(11-13-7-9-15(17)10-8-13)16(18)14-5-3-2-4-6-14/h2-10,12,16H,11H2,1H3.
What are the key properties of 1-bromo-4-(3-bromo-2-methyl-3-phenylpropyl)benzene?
1-bromo-4-(3-bromo-2-methyl-3-phenylpropyl)benzene has a molecular weight of 368.11 g/mol, XLogP of 5.76, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(3-bromo-2-methyl-3-phenylpropyl)benzene is sourced from PubChem (CID 113460202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).