4-bromo-2-[(4-bromophenyl)methoxy]benzonitrile

C14H9Br2NO — CID 114902529

IUPAC4-bromo-2-[(4-bromophenyl)methoxy]benzonitrile
SMILESN#Cc1ccc(Br)cc1OCc1ccc(Br)cc1
InChIInChI=1S/C14H9Br2NO/c15-12-4-1-10(2-5-12)9-18-14-7-13(16)6-3-11(14)8-17/h1-7H,9H2
InChIKeyHHRNVAQXZMRHJG-UHFFFAOYSA-N
MW367.04 g/mol
LogP4.66
Rot. Bonds3

About 4-bromo-2-[(4-bromophenyl)methoxy]benzonitrile

4-bromo-2-[(4-bromophenyl)methoxy]benzonitrile (PubChem CID 114902529) has the molecular formula C14H9Br2NO and a molecular weight of 367.04 g/mol. Its IUPAC name is 4-bromo-2-[(4-bromophenyl)methoxy]benzonitrile.

Molecular Properties

Compound Name4-bromo-2-[(4-bromophenyl)methoxy]benzonitrile
PubChem CID114902529
Molecular FormulaC14H9Br2NO
Molecular Weight367.04 g/mol
Exact Mass364.91
IUPAC Name4-bromo-2-[(4-bromophenyl)methoxy]benzonitrile
SMILESN#Cc1ccc(Br)cc1OCc1ccc(Br)cc1
InChIInChI=1S/C14H9Br2NO/c15-12-4-1-10(2-5-12)9-18-14-7-13(16)6-3-11(14)8-17/h1-7H,9H2
InChIKeyHHRNVAQXZMRHJG-UHFFFAOYSA-N
XLogP4.66
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.04
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(5-bromo-2-methylphenoxy)methyl]-2-methoxybenzonitrile
CID 107283816
1,4-dibromo-2-[(4-bromophenyl)methoxy]benzene
CID 59330950
4-bromo-2-prop-2-ynoxybenzonitrile
CID 114902407
5-bromo-2-[(3,4-dimethoxyphenyl)methoxy]benzonitrile
CID 80698460
4-[(4-bromophenyl)methoxymethyl]-2-methoxybenzonitrile
CID 106788648
4-bromo-2-(3-phenylpropoxy)benzonitrile
CID 114902467
4-[(4-bromophenyl)methoxy]-3-cyanobenzenecarboximidamide;hydrochloride
CID 155776597
4-bromo-2-(2-phenoxyethoxy)benzonitrile
CID 114902339
4-(aminomethyl)-2-phenylmethoxybenzonitrile
CID 22476142
4-chloro-2-[(4-cyanophenyl)methoxy]benzonitrile
CID 80708494
5-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-2-methoxybenzonitrile
CID 65339533
4-bromo-2-(2-propan-2-yloxyethoxy)benzonitrile
CID 114902335

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(4-bromophenyl)methoxy]benzonitrile?
The IUPAC name of 4-bromo-2-[(4-bromophenyl)methoxy]benzonitrile (CID 114902529) is 4-bromo-2-[(4-bromophenyl)methoxy]benzonitrile.
What is the SMILES notation for 4-bromo-2-[(4-bromophenyl)methoxy]benzonitrile?
The canonical SMILES for 4-bromo-2-[(4-bromophenyl)methoxy]benzonitrile is N#Cc1ccc(Br)cc1OCc1ccc(Br)cc1.
What is the InChIKey of 4-bromo-2-[(4-bromophenyl)methoxy]benzonitrile?
The InChIKey is HHRNVAQXZMRHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2NO/c15-12-4-1-10(2-5-12)9-18-14-7-13(16)6-3-11(14)8-17/h1-7H,9H2.
What are the key properties of 4-bromo-2-[(4-bromophenyl)methoxy]benzonitrile?
4-bromo-2-[(4-bromophenyl)methoxy]benzonitrile has a molecular weight of 367.04 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(4-bromophenyl)methoxy]benzonitrile is sourced from PubChem (CID 114902529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).