4-bromo-2-[3-bromo-2-(2-methylphenyl)propyl]-1-methoxybenzene

C17H18Br2O — CID 79419172

IUPAC4-bromo-2-[3-bromo-2-(2-methylphenyl)propyl]-1-methoxybenzene
SMILESCOc1ccc(Br)cc1CC(CBr)c1ccccc1C
InChIInChI=1S/C17H18Br2O/c1-12-5-3-4-6-16(12)14(11-18)9-13-10-15(19)7-8-17(13)20-2/h3-8,10,14H,9,11H2,1-2H3
InChIKeyHNGHWZCQDYOTFQ-UHFFFAOYSA-N
MW398.14 g/mol
LogP5.49
Rot. Bonds5

About 4-bromo-2-[3-bromo-2-(2-methylphenyl)propyl]-1-methoxybenzene

4-bromo-2-[3-bromo-2-(2-methylphenyl)propyl]-1-methoxybenzene (PubChem CID 79419172) has the molecular formula C17H18Br2O and a molecular weight of 398.14 g/mol. Its IUPAC name is 4-bromo-2-[3-bromo-2-(2-methylphenyl)propyl]-1-methoxybenzene.

Molecular Properties

Compound Name4-bromo-2-[3-bromo-2-(2-methylphenyl)propyl]-1-methoxybenzene
PubChem CID79419172
Molecular FormulaC17H18Br2O
Molecular Weight398.14 g/mol
Exact Mass395.97
IUPAC Name4-bromo-2-[3-bromo-2-(2-methylphenyl)propyl]-1-methoxybenzene
SMILESCOc1ccc(Br)cc1CC(CBr)c1ccccc1C
InChIInChI=1S/C17H18Br2O/c1-12-5-3-4-6-16(12)14(11-18)9-13-10-15(19)7-8-17(13)20-2/h3-8,10,14H,9,11H2,1-2H3
InChIKeyHNGHWZCQDYOTFQ-UHFFFAOYSA-N
XLogP5.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.14
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-1-methoxybenzene
CID 66041337
2-(5-bromo-2-methoxyphenyl)-1-(2-bromo-3-methylphenyl)ethanamine
CID 107984787
3-(5-bromo-2-methoxyphenyl)-2-phenylpropan-1-ol
CID 66060063
2-[3-chloro-2-(2-methylphenyl)propyl]-1-methoxy-4-methylbenzene
CID 79418764
2-(5-bromo-2-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylethanamine
CID 115817218
1,2-bis(5-bromo-2-methoxyphenyl)ethanol
CID 63895550
1-(2-aminophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol
CID 64832581
1-bromo-3-[1-bromo-3-(2-methoxyphenyl)propan-2-yl]benzene
CID 79431763
2-(5-bromo-2-methoxyphenyl)-1-(3-bromo-2-methylphenyl)ethanol
CID 115779294
4-bromo-2-[2-(bromomethyl)-3-(3-bromophenyl)propyl]-1-methoxybenzene
CID 66041326
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
2-(5-bromo-2-methoxyphenyl)-1-(2-bromophenyl)-N-ethylethanamine
CID 63417209

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[3-bromo-2-(2-methylphenyl)propyl]-1-methoxybenzene?
The IUPAC name of 4-bromo-2-[3-bromo-2-(2-methylphenyl)propyl]-1-methoxybenzene (CID 79419172) is 4-bromo-2-[3-bromo-2-(2-methylphenyl)propyl]-1-methoxybenzene.
What is the SMILES notation for 4-bromo-2-[3-bromo-2-(2-methylphenyl)propyl]-1-methoxybenzene?
The canonical SMILES for 4-bromo-2-[3-bromo-2-(2-methylphenyl)propyl]-1-methoxybenzene is COc1ccc(Br)cc1CC(CBr)c1ccccc1C.
What is the InChIKey of 4-bromo-2-[3-bromo-2-(2-methylphenyl)propyl]-1-methoxybenzene?
The InChIKey is HNGHWZCQDYOTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Br2O/c1-12-5-3-4-6-16(12)14(11-18)9-13-10-15(19)7-8-17(13)20-2/h3-8,10,14H,9,11H2,1-2H3.
What are the key properties of 4-bromo-2-[3-bromo-2-(2-methylphenyl)propyl]-1-methoxybenzene?
4-bromo-2-[3-bromo-2-(2-methylphenyl)propyl]-1-methoxybenzene has a molecular weight of 398.14 g/mol, XLogP of 5.49, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[3-bromo-2-(2-methylphenyl)propyl]-1-methoxybenzene is sourced from PubChem (CID 79419172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).