2-bromo-4-methoxy-1-(2-methylpropyl)benzene

C11H15BrO — CID 59138230

IUPAC2-bromo-4-methoxy-1-(2-methylpropyl)benzene
SMILESCOc1ccc(CC(C)C)c(Br)c1
InChIInChI=1S/C11H15BrO/c1-8(2)6-9-4-5-10(13-3)7-11(9)12/h4-5,7-8H,6H2,1-3H3
InChIKeyVYALNMHJQCOGBC-UHFFFAOYSA-N
MW243.14 g/mol
LogP3.66
Rot. Bonds3

About 2-bromo-4-methoxy-1-(2-methylpropyl)benzene

2-bromo-4-methoxy-1-(2-methylpropyl)benzene (PubChem CID 59138230) has the molecular formula C11H15BrO and a molecular weight of 243.14 g/mol. Its IUPAC name is 2-bromo-4-methoxy-1-(2-methylpropyl)benzene.

Molecular Properties

Compound Name2-bromo-4-methoxy-1-(2-methylpropyl)benzene
PubChem CID59138230
Molecular FormulaC11H15BrO
Molecular Weight243.14 g/mol
Exact Mass242.03
IUPAC Name2-bromo-4-methoxy-1-(2-methylpropyl)benzene
SMILESCOc1ccc(CC(C)C)c(Br)c1
InChIInChI=1S/C11H15BrO/c1-8(2)6-9-4-5-10(13-3)7-11(9)12/h4-5,7-8H,6H2,1-3H3
InChIKeyVYALNMHJQCOGBC-UHFFFAOYSA-N
XLogP3.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-1-[5-(2-bromo-4-methoxyphenyl)-2,4-dimethylpentyl]-4-methoxybenzene
CID 21039854
2-bromo-1-ethyl-4-methoxybenzene
CID 59138196
2-bromo-4-methoxy-1-(propan-2-ylsulfanylmethyl)benzene
CID 117221433
2-bromo-1-(chloromethyl)-4-methoxybenzene
CID 18624207
2-amino-3-(2-bromo-4-methoxyphenyl)propanoic acid
CID 82626061
1-bromo-4,5-dimethoxy-2-(2-methylpropyl)benzene
CID 138723532
2-bromo-1-(2-chloroethyl)-4-methoxybenzene
CID 130534302
4-(2-bromo-5-methoxyphenyl)-3-methylbutan-1-amine
CID 81013376
1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-ol
CID 65328089
1-bromo-2-(3-chloro-2-methylbutyl)-4-methoxybenzene
CID 65326952
3-(2-bromo-4-methoxyphenyl)propan-1-amine
CID 82622371
2-(2-bromo-4-methoxyphenyl)ethanethioamide
CID 83321838

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methoxy-1-(2-methylpropyl)benzene?
The IUPAC name of 2-bromo-4-methoxy-1-(2-methylpropyl)benzene (CID 59138230) is 2-bromo-4-methoxy-1-(2-methylpropyl)benzene.
What is the SMILES notation for 2-bromo-4-methoxy-1-(2-methylpropyl)benzene?
The canonical SMILES for 2-bromo-4-methoxy-1-(2-methylpropyl)benzene is COc1ccc(CC(C)C)c(Br)c1.
What is the InChIKey of 2-bromo-4-methoxy-1-(2-methylpropyl)benzene?
The InChIKey is VYALNMHJQCOGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO/c1-8(2)6-9-4-5-10(13-3)7-11(9)12/h4-5,7-8H,6H2,1-3H3.
What are the key properties of 2-bromo-4-methoxy-1-(2-methylpropyl)benzene?
2-bromo-4-methoxy-1-(2-methylpropyl)benzene has a molecular weight of 243.14 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methoxy-1-(2-methylpropyl)benzene is sourced from PubChem (CID 59138230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).