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

C18H21BrO2 — CID 63543653

IUPAC1-[2-bromo-4-(4-methoxyphenyl)butyl]-2-methoxybenzene
SMILESCOc1ccc(CCC(Br)Cc2ccccc2OC)cc1
InChIInChI=1S/C18H21BrO2/c1-20-17-11-8-14(9-12-17)7-10-16(19)13-15-5-3-4-6-18(15)21-2/h3-6,8-9,11-12,16H,7,10,13H2,1-2H3
InChIKeyOJACMLGMUMEYTK-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.64
Rot. Bonds7

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

1-[2-bromo-4-(4-methoxyphenyl)butyl]-2-methoxybenzene (PubChem CID 63543653) has the molecular formula C18H21BrO2 and a molecular weight of 349.27 g/mol. Its IUPAC name is 1-[2-bromo-4-(4-methoxyphenyl)butyl]-2-methoxybenzene.

Molecular Properties

Compound Name1-[2-bromo-4-(4-methoxyphenyl)butyl]-2-methoxybenzene
PubChem CID63543653
Molecular FormulaC18H21BrO2
Molecular Weight349.27 g/mol
Exact Mass348.07
IUPAC Name1-[2-bromo-4-(4-methoxyphenyl)butyl]-2-methoxybenzene
SMILESCOc1ccc(CCC(Br)Cc2ccccc2OC)cc1
InChIInChI=1S/C18H21BrO2/c1-20-17-11-8-14(9-12-17)7-10-16(19)13-15-5-3-4-6-18(15)21-2/h3-6,8-9,11-12,16H,7,10,13H2,1-2H3
InChIKeyOJACMLGMUMEYTK-UHFFFAOYSA-N
XLogP4.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-4-[2-bromo-4-(4-methoxyphenyl)butyl]benzene
CID 63542238
4-[2-bromo-4-(4-methoxyphenyl)butyl]-1,2-dimethylbenzene
CID 63544299
1-bromo-4-[2-bromo-3-(2-methoxyphenyl)propyl]benzene
CID 121269535
1-(2-bromooctyl)-2-methoxybenzene
CID 114753891
1,2-dimethoxy-4-[2-[2-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]benzene
CID 170457351
1-methoxy-4-[2-[1-(4-methoxyphenyl)-4-phenylbutan-2-yl]oxy-4-phenylbutyl]benzene
CID 130301426
1-(2-methoxyphenyl)-5-phenylpentan-2-ol
CID 62606153
2-[(2-methoxyphenyl)methyl]-4-phenylbutanoic acid
CID 79422266
1-(4-bromo-2-methylpentyl)-2-methoxybenzene
CID 64721690
1-(2-bromohexyl)-4-methoxybenzene
CID 63543278
[1-(2-bromophenyl)-4-(4-methoxyphenyl)butan-2-yl]hydrazine
CID 105214858
1-[1-chloro-2-(4-methoxyphenyl)ethyl]-2-methoxybenzene
CID 55149546

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-4-(4-methoxyphenyl)butyl]-2-methoxybenzene?
The IUPAC name of 1-[2-bromo-4-(4-methoxyphenyl)butyl]-2-methoxybenzene (CID 63543653) is 1-[2-bromo-4-(4-methoxyphenyl)butyl]-2-methoxybenzene.
What is the SMILES notation for 1-[2-bromo-4-(4-methoxyphenyl)butyl]-2-methoxybenzene?
The canonical SMILES for 1-[2-bromo-4-(4-methoxyphenyl)butyl]-2-methoxybenzene is COc1ccc(CCC(Br)Cc2ccccc2OC)cc1.
What is the InChIKey of 1-[2-bromo-4-(4-methoxyphenyl)butyl]-2-methoxybenzene?
The InChIKey is OJACMLGMUMEYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrO2/c1-20-17-11-8-14(9-12-17)7-10-16(19)13-15-5-3-4-6-18(15)21-2/h3-6,8-9,11-12,16H,7,10,13H2,1-2H3.
What are the key properties of 1-[2-bromo-4-(4-methoxyphenyl)butyl]-2-methoxybenzene?
1-[2-bromo-4-(4-methoxyphenyl)butyl]-2-methoxybenzene has a molecular weight of 349.27 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-4-(4-methoxyphenyl)butyl]-2-methoxybenzene is sourced from PubChem (CID 63543653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).