4-bromo-2-[4-(5-bromo-2-methoxyphenyl)butyl]-1-methoxybenzene

C18H20Br2O2 — CID 10693794

IUPAC4-bromo-2-[4-(5-bromo-2-methoxyphenyl)butyl]-1-methoxybenzene
SMILESCOc1ccc(Br)cc1CCCCc1cc(Br)ccc1OC
InChIInChI=1S/C18H20Br2O2/c1-21-17-9-7-15(19)11-13(17)5-3-4-6-14-12-16(20)8-10-18(14)22-2/h7-12H,3-6H2,1-2H3
InChIKeyDWZHANIHWWEWAY-UHFFFAOYSA-N
MW428.16 g/mol
LogP5.79
Rot. Bonds7

About 4-bromo-2-[4-(5-bromo-2-methoxyphenyl)butyl]-1-methoxybenzene

4-bromo-2-[4-(5-bromo-2-methoxyphenyl)butyl]-1-methoxybenzene (PubChem CID 10693794) has the molecular formula C18H20Br2O2 and a molecular weight of 428.16 g/mol. Its IUPAC name is 4-bromo-2-[4-(5-bromo-2-methoxyphenyl)butyl]-1-methoxybenzene.

Molecular Properties

Compound Name4-bromo-2-[4-(5-bromo-2-methoxyphenyl)butyl]-1-methoxybenzene
PubChem CID10693794
Molecular FormulaC18H20Br2O2
Molecular Weight428.16 g/mol
Exact Mass425.98
IUPAC Name4-bromo-2-[4-(5-bromo-2-methoxyphenyl)butyl]-1-methoxybenzene
SMILESCOc1ccc(Br)cc1CCCCc1cc(Br)ccc1OC
InChIInChI=1S/C18H20Br2O2/c1-21-17-9-7-15(19)11-13(17)5-3-4-6-14-12-16(20)8-10-18(14)22-2/h7-12H,3-6H2,1-2H3
InChIKeyDWZHANIHWWEWAY-UHFFFAOYSA-N
XLogP5.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.16
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(5-bromo-2-methoxyphenyl)-N-(2-methylpropyl)hexan-1-amine
CID 65308860
(2R)-4-(5-bromo-2-methoxyphenyl)butan-2-amine
CID 94231283
4-bromo-2-(4-bromo-4-cyclopropylbutyl)-1-methoxybenzene
CID 64507200
N'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N'-methylmethanediamine
CID 115226195
N'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N'-methylbutane-1,4-diamine
CID 115201513
4-bromo-2-(3-chloro-4-methoxybutyl)-1-methoxybenzene
CID 62319479
N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 110788017
4-bromo-2-(2-chloro-2-methylpropyl)-1-methoxybenzene
CID 4605776
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
1-(5-bromo-2-methoxyphenyl)-N-(bromomethyl)methanamine
CID 115261862
4-(5-bromo-2-ethoxyphenyl)butan-1-amine
CID 65305852
1,2-bis(5-bromo-2-methoxyphenyl)ethanol
CID 63895550

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[4-(5-bromo-2-methoxyphenyl)butyl]-1-methoxybenzene?
The IUPAC name of 4-bromo-2-[4-(5-bromo-2-methoxyphenyl)butyl]-1-methoxybenzene (CID 10693794) is 4-bromo-2-[4-(5-bromo-2-methoxyphenyl)butyl]-1-methoxybenzene.
What is the SMILES notation for 4-bromo-2-[4-(5-bromo-2-methoxyphenyl)butyl]-1-methoxybenzene?
The canonical SMILES for 4-bromo-2-[4-(5-bromo-2-methoxyphenyl)butyl]-1-methoxybenzene is COc1ccc(Br)cc1CCCCc1cc(Br)ccc1OC.
What is the InChIKey of 4-bromo-2-[4-(5-bromo-2-methoxyphenyl)butyl]-1-methoxybenzene?
The InChIKey is DWZHANIHWWEWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Br2O2/c1-21-17-9-7-15(19)11-13(17)5-3-4-6-14-12-16(20)8-10-18(14)22-2/h7-12H,3-6H2,1-2H3.
What are the key properties of 4-bromo-2-[4-(5-bromo-2-methoxyphenyl)butyl]-1-methoxybenzene?
4-bromo-2-[4-(5-bromo-2-methoxyphenyl)butyl]-1-methoxybenzene has a molecular weight of 428.16 g/mol, XLogP of 5.79, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[4-(5-bromo-2-methoxyphenyl)butyl]-1-methoxybenzene is sourced from PubChem (CID 10693794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).