1-bromo-4-(4-methoxyphenyl)benzene

C13H11BrO — CID 4034005

IUPAC1-bromo-4-(4-methoxyphenyl)benzene
SMILESCOc1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C13H11BrO/c1-15-13-8-4-11(5-9-13)10-2-6-12(14)7-3-10/h2-9H,1H3
InChIKeyCMYZTJCWFRFRIW-UHFFFAOYSA-N
MW263.13 g/mol
LogP4.12
Rot. Bonds2

About 1-bromo-4-(4-methoxyphenyl)benzene

1-bromo-4-(4-methoxyphenyl)benzene (PubChem CID 4034005) has the molecular formula C13H11BrO and a molecular weight of 263.13 g/mol. Its IUPAC name is 1-bromo-4-(4-methoxyphenyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(4-methoxyphenyl)benzene
PubChem CID4034005
Molecular FormulaC13H11BrO
Molecular Weight263.13 g/mol
Exact Mass262.00
IUPAC Name1-bromo-4-(4-methoxyphenyl)benzene
SMILESCOc1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C13H11BrO/c1-15-13-8-4-11(5-9-13)10-2-6-12(14)7-3-10/h2-9H,1H3
InChIKeyCMYZTJCWFRFRIW-UHFFFAOYSA-N
XLogP4.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.13
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(4-methoxyphenyl)benzene?
The IUPAC name of 1-bromo-4-(4-methoxyphenyl)benzene (CID 4034005) is 1-bromo-4-(4-methoxyphenyl)benzene.
What is the SMILES notation for 1-bromo-4-(4-methoxyphenyl)benzene?
The canonical SMILES for 1-bromo-4-(4-methoxyphenyl)benzene is COc1ccc(-c2ccc(Br)cc2)cc1.
What is the InChIKey of 1-bromo-4-(4-methoxyphenyl)benzene?
The InChIKey is CMYZTJCWFRFRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrO/c1-15-13-8-4-11(5-9-13)10-2-6-12(14)7-3-10/h2-9H,1H3.
What are the key properties of 1-bromo-4-(4-methoxyphenyl)benzene?
1-bromo-4-(4-methoxyphenyl)benzene has a molecular weight of 263.13 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(4-methoxyphenyl)benzene is sourced from PubChem (CID 4034005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).