4-bromo-2-(4-bromo-4-cyclopropylbutyl)-1-methoxybenzene

C14H18Br2O — CID 64507200

IUPAC4-bromo-2-(4-bromo-4-cyclopropylbutyl)-1-methoxybenzene
SMILESCOc1ccc(Br)cc1CCCC(Br)C1CC1
InChIInChI=1S/C14H18Br2O/c1-17-14-8-7-12(15)9-11(14)3-2-4-13(16)10-5-6-10/h7-10,13H,2-6H2,1H3
InChIKeyDZCQORLGRMJIIH-UHFFFAOYSA-N
MW362.11 g/mol
LogP4.95
Rot. Bonds6

About 4-bromo-2-(4-bromo-4-cyclopropylbutyl)-1-methoxybenzene

4-bromo-2-(4-bromo-4-cyclopropylbutyl)-1-methoxybenzene (PubChem CID 64507200) has the molecular formula C14H18Br2O and a molecular weight of 362.11 g/mol. Its IUPAC name is 4-bromo-2-(4-bromo-4-cyclopropylbutyl)-1-methoxybenzene.

Molecular Properties

Compound Name4-bromo-2-(4-bromo-4-cyclopropylbutyl)-1-methoxybenzene
PubChem CID64507200
Molecular FormulaC14H18Br2O
Molecular Weight362.11 g/mol
Exact Mass359.97
IUPAC Name4-bromo-2-(4-bromo-4-cyclopropylbutyl)-1-methoxybenzene
SMILESCOc1ccc(Br)cc1CCCC(Br)C1CC1
InChIInChI=1S/C14H18Br2O/c1-17-14-8-7-12(15)9-11(14)3-2-4-13(16)10-5-6-10/h7-10,13H,2-6H2,1H3
InChIKeyDZCQORLGRMJIIH-UHFFFAOYSA-N
XLogP4.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.11
LogP ≤ 54.95
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-(5-bromo-2-methoxyphenyl)-1-cyclopropylpropan-1-amine
CID 63355272
4-bromo-2-[4-(5-bromo-2-methoxyphenyl)butyl]-1-methoxybenzene
CID 10693794
2-(3-bromo-3-cyclopropylpropyl)-4-chloro-1-methoxybenzene
CID 63471316
N-[(5-bromo-2-methoxyphenyl)methyl]-1,1-dicyclopropylmethanamine
CID 43088568
2-(5-bromo-2-methoxyphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65423793
(2R)-4-(5-bromo-2-methoxyphenyl)butan-2-amine
CID 94231283
2-(5-bromo-2-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol
CID 65401347
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-1-cyclopropylethanol
CID 111858724
4-bromo-2-(3-chloro-4-methoxybutyl)-1-methoxybenzene
CID 62319479
2-(5-bromo-2-methoxyphenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine
CID 65413976
[2-(5-bromo-2-methoxyphenyl)-1-(4-methylcyclohexyl)ethyl]hydrazine
CID 105210614
4-bromo-2-(2-cyclopropylethoxymethyl)-1-methoxybenzene
CID 106203721

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(4-bromo-4-cyclopropylbutyl)-1-methoxybenzene?
The IUPAC name of 4-bromo-2-(4-bromo-4-cyclopropylbutyl)-1-methoxybenzene (CID 64507200) is 4-bromo-2-(4-bromo-4-cyclopropylbutyl)-1-methoxybenzene.
What is the SMILES notation for 4-bromo-2-(4-bromo-4-cyclopropylbutyl)-1-methoxybenzene?
The canonical SMILES for 4-bromo-2-(4-bromo-4-cyclopropylbutyl)-1-methoxybenzene is COc1ccc(Br)cc1CCCC(Br)C1CC1.
What is the InChIKey of 4-bromo-2-(4-bromo-4-cyclopropylbutyl)-1-methoxybenzene?
The InChIKey is DZCQORLGRMJIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2O/c1-17-14-8-7-12(15)9-11(14)3-2-4-13(16)10-5-6-10/h7-10,13H,2-6H2,1H3.
What are the key properties of 4-bromo-2-(4-bromo-4-cyclopropylbutyl)-1-methoxybenzene?
4-bromo-2-(4-bromo-4-cyclopropylbutyl)-1-methoxybenzene has a molecular weight of 362.11 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(4-bromo-4-cyclopropylbutyl)-1-methoxybenzene is sourced from PubChem (CID 64507200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).