5-bromo-2-(2-bromo-4-methoxyphenoxy)benzonitrile

C14H9Br2NO2 — CID 114891095

IUPAC5-bromo-2-(2-bromo-4-methoxyphenoxy)benzonitrile
SMILESCOc1ccc(Oc2ccc(Br)cc2C#N)c(Br)c1
InChIInChI=1S/C14H9Br2NO2/c1-18-11-3-5-14(12(16)7-11)19-13-4-2-10(15)6-9(13)8-17/h2-7H,1H3
InChIKeyVJCSJWMDDVPWCQ-UHFFFAOYSA-N
MW383.04 g/mol
LogP4.88
Rot. Bonds3

About 5-bromo-2-(2-bromo-4-methoxyphenoxy)benzonitrile

5-bromo-2-(2-bromo-4-methoxyphenoxy)benzonitrile (PubChem CID 114891095) has the molecular formula C14H9Br2NO2 and a molecular weight of 383.04 g/mol. Its IUPAC name is 5-bromo-2-(2-bromo-4-methoxyphenoxy)benzonitrile.

Molecular Properties

Compound Name5-bromo-2-(2-bromo-4-methoxyphenoxy)benzonitrile
PubChem CID114891095
Molecular FormulaC14H9Br2NO2
Molecular Weight383.04 g/mol
Exact Mass380.90
IUPAC Name5-bromo-2-(2-bromo-4-methoxyphenoxy)benzonitrile
SMILESCOc1ccc(Oc2ccc(Br)cc2C#N)c(Br)c1
InChIInChI=1S/C14H9Br2NO2/c1-18-11-3-5-14(12(16)7-11)19-13-4-2-10(15)6-9(13)8-17/h2-7H,1H3
InChIKeyVJCSJWMDDVPWCQ-UHFFFAOYSA-N
XLogP4.88
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.04
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(4-bromo-3-methylphenoxy)benzonitrile
CID 114891091
5-chloro-2-(2,4-dibromophenoxy)benzonitrile
CID 64719976
4-bromo-2-(3,5-dimethoxyphenoxy)benzonitrile
CID 23431864
4-(2-amino-4-methoxyphenoxy)-3-bromobenzonitrile
CID 82809083
methyl 4-(4-bromo-2-cyanophenoxy)benzoate
CID 114895239
2,4-dibromo-1-(3-bromo-5-methoxyphenoxy)benzene
CID 132934312
5-bromo-2-(3,5-difluorophenoxy)benzonitrile
CID 114891054
5-bromo-2-(3,5-dichlorophenoxy)benzonitrile
CID 114891024
2-(2-amino-4-bromophenoxy)-5-methylbenzonitrile
CID 114017421
1-[5-bromo-2-(2-bromo-4-methoxyphenoxy)phenyl]ethanone
CID 104707843
2-(2,4-dibromophenoxy)-4-methoxy-1-nitrobenzene
CID 18406541
3-(2-bromo-4-methoxyphenoxy)-4-nitrobenzonitrile
CID 104713265

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-bromo-4-methoxyphenoxy)benzonitrile?
The IUPAC name of 5-bromo-2-(2-bromo-4-methoxyphenoxy)benzonitrile (CID 114891095) is 5-bromo-2-(2-bromo-4-methoxyphenoxy)benzonitrile.
What is the SMILES notation for 5-bromo-2-(2-bromo-4-methoxyphenoxy)benzonitrile?
The canonical SMILES for 5-bromo-2-(2-bromo-4-methoxyphenoxy)benzonitrile is COc1ccc(Oc2ccc(Br)cc2C#N)c(Br)c1.
What is the InChIKey of 5-bromo-2-(2-bromo-4-methoxyphenoxy)benzonitrile?
The InChIKey is VJCSJWMDDVPWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2NO2/c1-18-11-3-5-14(12(16)7-11)19-13-4-2-10(15)6-9(13)8-17/h2-7H,1H3.
What are the key properties of 5-bromo-2-(2-bromo-4-methoxyphenoxy)benzonitrile?
5-bromo-2-(2-bromo-4-methoxyphenoxy)benzonitrile has a molecular weight of 383.04 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-bromo-4-methoxyphenoxy)benzonitrile is sourced from PubChem (CID 114891095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).