4-bromo-2-naphthalen-2-yloxybenzonitrile

C17H10BrNO — CID 114902376

IUPAC4-bromo-2-naphthalen-2-yloxybenzonitrile
SMILESN#Cc1ccc(Br)cc1Oc1ccc2ccccc2c1
InChIInChI=1S/C17H10BrNO/c18-15-7-5-14(11-19)17(10-15)20-16-8-6-12-3-1-2-4-13(12)9-16/h1-10H
InChIKeyUNAURBAENVZGCB-UHFFFAOYSA-N
MW324.18 g/mol
LogP5.27
Rot. Bonds2

About 4-bromo-2-naphthalen-2-yloxybenzonitrile

4-bromo-2-naphthalen-2-yloxybenzonitrile (PubChem CID 114902376) has the molecular formula C17H10BrNO and a molecular weight of 324.18 g/mol. Its IUPAC name is 4-bromo-2-naphthalen-2-yloxybenzonitrile.

Molecular Properties

Compound Name4-bromo-2-naphthalen-2-yloxybenzonitrile
PubChem CID114902376
Molecular FormulaC17H10BrNO
Molecular Weight324.18 g/mol
Exact Mass322.99
IUPAC Name4-bromo-2-naphthalen-2-yloxybenzonitrile
SMILESN#Cc1ccc(Br)cc1Oc1ccc2ccccc2c1
InChIInChI=1S/C17H10BrNO/c18-15-7-5-14(11-19)17(10-15)20-16-8-6-12-3-1-2-4-13(12)9-16/h1-10H
InChIKeyUNAURBAENVZGCB-UHFFFAOYSA-N
XLogP5.27
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.18
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-2-naphthalen-2-yloxybenzonitrile
CID 81297139
2-(6-bromonaphthalen-2-yl)oxy-5-chlorobenzonitrile
CID 63512034
4-bromo-2-(3,4-dimethylphenoxy)benzonitrile
CID 114902365
4-bromo-2-(1-bromonaphthalen-2-yl)oxybenzonitrile
CID 114902438
4-bromo-2-(3,5-dimethoxyphenoxy)benzonitrile
CID 23431864
4-bromo-2-[4-(trifluoromethyl)phenoxy]benzonitrile
CID 114902415
4-[5-bromo-2-(4-bromophenyl)phenoxy]benzene-1,2-dicarbonitrile
CID 175184138
2-(3-bromophenoxy)benzonitrile
CID 28602353
(4-bromo-2-naphthalen-2-yloxyphenyl)methanamine
CID 43364990
2-bromo-6-naphthalen-2-yloxybenzonitrile
CID 114881557
4-bromo-2-(3-methylsulfonylphenoxy)benzonitrile
CID 114902433
2-(3-bromophenoxy)-4-methylbenzonitrile
CID 63511715

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-naphthalen-2-yloxybenzonitrile?
The IUPAC name of 4-bromo-2-naphthalen-2-yloxybenzonitrile (CID 114902376) is 4-bromo-2-naphthalen-2-yloxybenzonitrile.
What is the SMILES notation for 4-bromo-2-naphthalen-2-yloxybenzonitrile?
The canonical SMILES for 4-bromo-2-naphthalen-2-yloxybenzonitrile is N#Cc1ccc(Br)cc1Oc1ccc2ccccc2c1.
What is the InChIKey of 4-bromo-2-naphthalen-2-yloxybenzonitrile?
The InChIKey is UNAURBAENVZGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrNO/c18-15-7-5-14(11-19)17(10-15)20-16-8-6-12-3-1-2-4-13(12)9-16/h1-10H.
What are the key properties of 4-bromo-2-naphthalen-2-yloxybenzonitrile?
4-bromo-2-naphthalen-2-yloxybenzonitrile has a molecular weight of 324.18 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-naphthalen-2-yloxybenzonitrile is sourced from PubChem (CID 114902376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).