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

C16H15BrCl2O — CID 79432256

IUPAC2-bromo-4-[3-chloro-2-(3-chlorophenyl)propyl]-1-methoxybenzene
SMILESCOc1ccc(CC(CCl)c2cccc(Cl)c2)cc1Br
InChIInChI=1S/C16H15BrCl2O/c1-20-16-6-5-11(8-15(16)17)7-13(10-18)12-3-2-4-14(19)9-12/h2-6,8-9,13H,7,10H2,1H3
InChIKeyLEJLIUFPNLWVSR-UHFFFAOYSA-N
MW374.11 g/mol
LogP5.68
Rot. Bonds5

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

2-bromo-4-[3-chloro-2-(3-chlorophenyl)propyl]-1-methoxybenzene (PubChem CID 79432256) has the molecular formula C16H15BrCl2O and a molecular weight of 374.11 g/mol. Its IUPAC name is 2-bromo-4-[3-chloro-2-(3-chlorophenyl)propyl]-1-methoxybenzene.

Molecular Properties

Compound Name2-bromo-4-[3-chloro-2-(3-chlorophenyl)propyl]-1-methoxybenzene
PubChem CID79432256
Molecular FormulaC16H15BrCl2O
Molecular Weight374.11 g/mol
Exact Mass371.97
IUPAC Name2-bromo-4-[3-chloro-2-(3-chlorophenyl)propyl]-1-methoxybenzene
SMILESCOc1ccc(CC(CCl)c2cccc(Cl)c2)cc1Br
InChIInChI=1S/C16H15BrCl2O/c1-20-16-6-5-11(8-15(16)17)7-13(10-18)12-3-2-4-14(19)9-12/h2-6,8-9,13H,7,10H2,1H3
InChIKeyLEJLIUFPNLWVSR-UHFFFAOYSA-N
XLogP5.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.11
LogP ≤ 55.68
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

(3-bromo-4-methoxyphenyl)-(3-chlorophenyl)methanamine
CID 43131111
2-bromo-4-(3-chloro-2-methylpropyl)-1-methoxybenzene
CID 66035628
2-bromo-4-[(3-chlorophenyl)methoxymethyl]-1-methoxybenzene
CID 65126584
2-chloro-4-[3-chloro-2-(3-chlorophenyl)propyl]-1-fluorobenzene
CID 103042092
2-bromo-4-[2-[(3-bromophenyl)methyl]-3-chloropropyl]-1-methoxybenzene
CID 66050769
3-(3-bromo-4-methoxyphenyl)-2-(2-chlorophenyl)propan-1-ol
CID 79454053
4-(3-chloro-2-phenylpropyl)-2-fluoro-1-methoxybenzene
CID 66033669
2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-5-methylphenyl)ethanol
CID 115779493
3-(3-bromo-4-methoxyphenyl)-2-(2-bromophenyl)propan-1-ol
CID 79454756
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915
1-(3-bromo-2-chlorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanol
CID 115779442
2-[(3-bromo-4-methoxyphenyl)methyl]-3-methylbutan-1-ol
CID 66060269

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[3-chloro-2-(3-chlorophenyl)propyl]-1-methoxybenzene?
The IUPAC name of 2-bromo-4-[3-chloro-2-(3-chlorophenyl)propyl]-1-methoxybenzene (CID 79432256) is 2-bromo-4-[3-chloro-2-(3-chlorophenyl)propyl]-1-methoxybenzene.
What is the SMILES notation for 2-bromo-4-[3-chloro-2-(3-chlorophenyl)propyl]-1-methoxybenzene?
The canonical SMILES for 2-bromo-4-[3-chloro-2-(3-chlorophenyl)propyl]-1-methoxybenzene is COc1ccc(CC(CCl)c2cccc(Cl)c2)cc1Br.
What is the InChIKey of 2-bromo-4-[3-chloro-2-(3-chlorophenyl)propyl]-1-methoxybenzene?
The InChIKey is LEJLIUFPNLWVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrCl2O/c1-20-16-6-5-11(8-15(16)17)7-13(10-18)12-3-2-4-14(19)9-12/h2-6,8-9,13H,7,10H2,1H3.
What are the key properties of 2-bromo-4-[3-chloro-2-(3-chlorophenyl)propyl]-1-methoxybenzene?
2-bromo-4-[3-chloro-2-(3-chlorophenyl)propyl]-1-methoxybenzene has a molecular weight of 374.11 g/mol, XLogP of 5.68, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[3-chloro-2-(3-chlorophenyl)propyl]-1-methoxybenzene is sourced from PubChem (CID 79432256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).