1-bromo-4-(1-bromodecan-2-yl)benzene

C16H24Br2 — CID 79434996

IUPAC1-bromo-4-(1-bromodecan-2-yl)benzene
SMILESCCCCCCCCC(CBr)c1ccc(Br)cc1
InChIInChI=1S/C16H24Br2/c1-2-3-4-5-6-7-8-15(13-17)14-9-11-16(18)12-10-14/h9-12,15H,2-8,13H2,1H3
InChIKeyGJSNZRQRVHUYGT-UHFFFAOYSA-N
MW376.18 g/mol
LogP6.68
Rot. Bonds9

About 1-bromo-4-(1-bromodecan-2-yl)benzene

1-bromo-4-(1-bromodecan-2-yl)benzene (PubChem CID 79434996) has the molecular formula C16H24Br2 and a molecular weight of 376.18 g/mol. Its IUPAC name is 1-bromo-4-(1-bromodecan-2-yl)benzene.

Molecular Properties

Compound Name1-bromo-4-(1-bromodecan-2-yl)benzene
PubChem CID79434996
Molecular FormulaC16H24Br2
Molecular Weight376.18 g/mol
Exact Mass374.02
IUPAC Name1-bromo-4-(1-bromodecan-2-yl)benzene
SMILESCCCCCCCCC(CBr)c1ccc(Br)cc1
InChIInChI=1S/C16H24Br2/c1-2-3-4-5-6-7-8-15(13-17)14-9-11-16(18)12-10-14/h9-12,15H,2-8,13H2,1H3
InChIKeyGJSNZRQRVHUYGT-UHFFFAOYSA-N
XLogP6.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.18
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-bromo-4-(1-bromodecan-2-yl)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-bromododecan-2-ylbenzene
CID 66043461
2-(4-bromophenyl)-N-ethylundecan-1-amine
CID 79433070
1-bromo-4-(1-bromo-6-methoxyhexan-2-yl)benzene
CID 104650728
1-bromo-3-(1-bromoheptan-2-yl)benzene
CID 79433772
(1S)-1-(4-bromophenyl)octan-1-ol
CID 124554353
1-(1-bromohexan-2-yl)-4-fluorobenzene
CID 79435039
1-bromo-4-(1-bromo-4-propoxybutan-2-yl)benzene
CID 106459673
(1R)-1-(4-bromophenyl)hexan-1-ol
CID 57438971
(1R)-1-(4-bromophenyl)hexan-1-amine
CID 28979676
(1S)-1-(4-bromophenyl)hexan-1-amine
CID 28979678
1-[2-(4-bromophenyl)decyl]imidazole
CID 3006849
1-bromo-2-(1-bromooctan-2-yl)benzene
CID 79454494

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(1-bromodecan-2-yl)benzene?
The IUPAC name of 1-bromo-4-(1-bromodecan-2-yl)benzene (CID 79434996) is 1-bromo-4-(1-bromodecan-2-yl)benzene.
What is the SMILES notation for 1-bromo-4-(1-bromodecan-2-yl)benzene?
The canonical SMILES for 1-bromo-4-(1-bromodecan-2-yl)benzene is CCCCCCCCC(CBr)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-(1-bromodecan-2-yl)benzene?
The InChIKey is GJSNZRQRVHUYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Br2/c1-2-3-4-5-6-7-8-15(13-17)14-9-11-16(18)12-10-14/h9-12,15H,2-8,13H2,1H3.
What are the key properties of 1-bromo-4-(1-bromodecan-2-yl)benzene?
1-bromo-4-(1-bromodecan-2-yl)benzene has a molecular weight of 376.18 g/mol, XLogP of 6.68, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(1-bromodecan-2-yl)benzene is sourced from PubChem (CID 79434996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).