1-bromo-4-[(2-bromo-5-phenylcyclohexyl)methyl]benzene

C19H20Br2 — CID 63472246

IUPAC1-bromo-4-[(2-bromo-5-phenylcyclohexyl)methyl]benzene
SMILESBrc1ccc(CC2CC(c3ccccc3)CCC2Br)cc1
InChIInChI=1S/C19H20Br2/c20-18-9-6-14(7-10-18)12-17-13-16(8-11-19(17)21)15-4-2-1-3-5-15/h1-7,9-10,16-17,19H,8,11-13H2
InChIKeyVCLIPVUCONFWLP-UHFFFAOYSA-N
MW408.18 g/mol
LogP6.34
Rot. Bonds3

About 1-bromo-4-[(2-bromo-5-phenylcyclohexyl)methyl]benzene

1-bromo-4-[(2-bromo-5-phenylcyclohexyl)methyl]benzene (PubChem CID 63472246) has the molecular formula C19H20Br2 and a molecular weight of 408.18 g/mol. Its IUPAC name is 1-bromo-4-[(2-bromo-5-phenylcyclohexyl)methyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[(2-bromo-5-phenylcyclohexyl)methyl]benzene
PubChem CID63472246
Molecular FormulaC19H20Br2
Molecular Weight408.18 g/mol
Exact Mass405.99
IUPAC Name1-bromo-4-[(2-bromo-5-phenylcyclohexyl)methyl]benzene
SMILESBrc1ccc(CC2CC(c3ccccc3)CCC2Br)cc1
InChIInChI=1S/C19H20Br2/c20-18-9-6-14(7-10-18)12-17-13-16(8-11-19(17)21)15-4-2-1-3-5-15/h1-7,9-10,16-17,19H,8,11-13H2
InChIKeyVCLIPVUCONFWLP-UHFFFAOYSA-N
XLogP6.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.18
LogP ≤ 56.34
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

4-bromo-2-[(2-bromo-5-phenylcyclohexyl)methyl]thiophene
CID 63470529
1-[(2-bromo-5-phenylcyclohexyl)methyl]-2-fluorobenzene
CID 63471287
(3-benzyl-4-chlorocyclohexyl)benzene
CID 63471398
3-bromo-5-[(2-chloro-5-phenylcyclohexyl)methyl]pyridine
CID 104810123
[4-bromo-3-(2-ethylhexyl)cyclohexyl]benzene
CID 63472623
1-bromo-4-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene
CID 160773433
(3aR,5R,7aS)-2-(4-bromophenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7298155
3-bromo-4-[(4-bromophenyl)methyl]thiolane
CID 83191564
(3-bromo-2-methylcyclopentyl)methylbenzene
CID 64907307
benzene;cyclopropylbenzene
CID 144638417
trans-(1R,2R)-2-[(4-bromophenyl)methyl]cyclopropane-1-carboxylic acid
CID 99939597
[(1S,2R,5R)-2-amino-5-phenylcyclohexyl]methanol
CID 50989531

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(2-bromo-5-phenylcyclohexyl)methyl]benzene?
The IUPAC name of 1-bromo-4-[(2-bromo-5-phenylcyclohexyl)methyl]benzene (CID 63472246) is 1-bromo-4-[(2-bromo-5-phenylcyclohexyl)methyl]benzene.
What is the SMILES notation for 1-bromo-4-[(2-bromo-5-phenylcyclohexyl)methyl]benzene?
The canonical SMILES for 1-bromo-4-[(2-bromo-5-phenylcyclohexyl)methyl]benzene is Brc1ccc(CC2CC(c3ccccc3)CCC2Br)cc1.
What is the InChIKey of 1-bromo-4-[(2-bromo-5-phenylcyclohexyl)methyl]benzene?
The InChIKey is VCLIPVUCONFWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Br2/c20-18-9-6-14(7-10-18)12-17-13-16(8-11-19(17)21)15-4-2-1-3-5-15/h1-7,9-10,16-17,19H,8,11-13H2.
What are the key properties of 1-bromo-4-[(2-bromo-5-phenylcyclohexyl)methyl]benzene?
1-bromo-4-[(2-bromo-5-phenylcyclohexyl)methyl]benzene has a molecular weight of 408.18 g/mol, XLogP of 6.34, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(2-bromo-5-phenylcyclohexyl)methyl]benzene is sourced from PubChem (CID 63472246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).