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

C20H14BrNO — CID 7670973

IUPAC4-[4-[(2-bromophenyl)methoxy]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(OCc3ccccc3Br)cc2)cc1
InChIInChI=1S/C20H14BrNO/c21-20-4-2-1-3-18(20)14-23-19-11-9-17(10-12-19)16-7-5-15(13-22)6-8-16/h1-12H,14H2
InChIKeyFMSCVIJWNGJTSM-UHFFFAOYSA-N
MW364.24 g/mol
LogP5.57
Rot. Bonds4

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

4-[4-[(2-bromophenyl)methoxy]phenyl]benzonitrile (PubChem CID 7670973) has the molecular formula C20H14BrNO and a molecular weight of 364.24 g/mol. Its IUPAC name is 4-[4-[(2-bromophenyl)methoxy]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-[(2-bromophenyl)methoxy]phenyl]benzonitrile
PubChem CID7670973
Molecular FormulaC20H14BrNO
Molecular Weight364.24 g/mol
Exact Mass363.03
IUPAC Name4-[4-[(2-bromophenyl)methoxy]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(OCc3ccccc3Br)cc2)cc1
InChIInChI=1S/C20H14BrNO/c21-20-4-2-1-3-18(20)14-23-19-11-9-17(10-12-19)16-7-5-15(13-22)6-8-16/h1-12H,14H2
InChIKeyFMSCVIJWNGJTSM-UHFFFAOYSA-N
XLogP5.57
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.24
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-[(2-bromophenyl)methoxy]benzonitrile
CID 102818236
4-[(2-bromophenyl)methoxy]phenol
CID 43143380
4-[(4-phenylphenoxy)methyl]benzonitrile
CID 7919523
4-[(2-bromophenyl)methoxy]-3,5-difluorobenzonitrile
CID 82825940
4-[4-[(2-bromophenyl)methoxy]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586570
4-[4-(bromomethoxy)phenyl]benzonitrile
CID 174243414
2-[2-amino-5-[(2-bromophenyl)methoxy]phenyl]acetonitrile
CID 102624987
6-[(2-bromophenyl)methoxy]pyridine-2-carbonitrile
CID 82825869
4-[(2-nitrophenyl)methoxy]benzonitrile
CID 24702711
4-[(2-amino-3-pyridinyl)methoxy]benzonitrile
CID 62465646
4-[(2-bromophenyl)methoxymethyl]-3-chlorobenzonitrile
CID 102665969
4-[4-[7-[4-[4-[7-[4-(4-cyanophenyl)phenoxy]heptoxy]phenyl]phenoxy]heptoxy]phenyl]benzonitrile
CID 15322371

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-bromophenyl)methoxy]phenyl]benzonitrile?
The IUPAC name of 4-[4-[(2-bromophenyl)methoxy]phenyl]benzonitrile (CID 7670973) is 4-[4-[(2-bromophenyl)methoxy]phenyl]benzonitrile.
What is the SMILES notation for 4-[4-[(2-bromophenyl)methoxy]phenyl]benzonitrile?
The canonical SMILES for 4-[4-[(2-bromophenyl)methoxy]phenyl]benzonitrile is N#Cc1ccc(-c2ccc(OCc3ccccc3Br)cc2)cc1.
What is the InChIKey of 4-[4-[(2-bromophenyl)methoxy]phenyl]benzonitrile?
The InChIKey is FMSCVIJWNGJTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrNO/c21-20-4-2-1-3-18(20)14-23-19-11-9-17(10-12-19)16-7-5-15(13-22)6-8-16/h1-12H,14H2.
What are the key properties of 4-[4-[(2-bromophenyl)methoxy]phenyl]benzonitrile?
4-[4-[(2-bromophenyl)methoxy]phenyl]benzonitrile has a molecular weight of 364.24 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-bromophenyl)methoxy]phenyl]benzonitrile is sourced from PubChem (CID 7670973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).