4-(4-bromophenyl)-3-ethylbenzonitrile

C15H12BrN — CID 145051253

IUPAC4-(4-bromophenyl)-3-ethylbenzonitrile
SMILESCCc1cc(C#N)ccc1-c1ccc(Br)cc1
InChIInChI=1S/C15H12BrN/c1-2-12-9-11(10-17)3-8-15(12)13-4-6-14(16)7-5-13/h3-9H,2H2,1H3
InChIKeyCWOCVMPRNFUSGN-UHFFFAOYSA-N
MW286.17 g/mol
LogP4.55
Rot. Bonds2

About 4-(4-bromophenyl)-3-ethylbenzonitrile

4-(4-bromophenyl)-3-ethylbenzonitrile (PubChem CID 145051253) has the molecular formula C15H12BrN and a molecular weight of 286.17 g/mol. Its IUPAC name is 4-(4-bromophenyl)-3-ethylbenzonitrile.

Molecular Properties

Compound Name4-(4-bromophenyl)-3-ethylbenzonitrile
PubChem CID145051253
Molecular FormulaC15H12BrN
Molecular Weight286.17 g/mol
Exact Mass285.02
IUPAC Name4-(4-bromophenyl)-3-ethylbenzonitrile
SMILESCCc1cc(C#N)ccc1-c1ccc(Br)cc1
InChIInChI=1S/C15H12BrN/c1-2-12-9-11(10-17)3-8-15(12)13-4-6-14(16)7-5-13/h3-9H,2H2,1H3
InChIKeyCWOCVMPRNFUSGN-UHFFFAOYSA-N
XLogP4.55
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-aminopropyl)-4-(4-bromophenyl)benzonitrile
CID 145051189
4-(4-bromophenyl)sulfanyl-3-ethylbenzonitrile
CID 91877251
4-(4-bromo-2-ethylphenyl)phenol
CID 118355100
4-(4-bromophenyl)-3-ethenylbenzonitrile
CID 121247724
3-ethyl-4-(hydroxymethyl)benzonitrile
CID 24971956
4-[3-(4-bromophenyl)-5-(4-cyanophenyl)phenyl]benzonitrile
CID 90126936
4-(2-ethyl-4-imidazol-1-ylphenyl)benzonitrile
CID 118978698
4-(chloromethyl)-3-ethylbenzonitrile
CID 91883782
4-(4-ethylphenyl)-3-phenylbenzonitrile
CID 46864016
4-(4-bromo-2-ethylanilino)-3-fluorobenzonitrile
CID 81292749
4-(4-bromophenyl)-3-[(7-ethylcyclohepta-1,3,5-trien-1-yl)methoxy]benzonitrile
CID 145051248
4-(difluoromethyl)-3-ethylbenzonitrile
CID 171631043

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-3-ethylbenzonitrile?
The IUPAC name of 4-(4-bromophenyl)-3-ethylbenzonitrile (CID 145051253) is 4-(4-bromophenyl)-3-ethylbenzonitrile.
What is the SMILES notation for 4-(4-bromophenyl)-3-ethylbenzonitrile?
The canonical SMILES for 4-(4-bromophenyl)-3-ethylbenzonitrile is CCc1cc(C#N)ccc1-c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-3-ethylbenzonitrile?
The InChIKey is CWOCVMPRNFUSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN/c1-2-12-9-11(10-17)3-8-15(12)13-4-6-14(16)7-5-13/h3-9H,2H2,1H3.
What are the key properties of 4-(4-bromophenyl)-3-ethylbenzonitrile?
4-(4-bromophenyl)-3-ethylbenzonitrile has a molecular weight of 286.17 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-3-ethylbenzonitrile is sourced from PubChem (CID 145051253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).