2-(5-bromo-2-phenylmethoxyphenyl)acetonitrile

C15H12BrNO — CID 22675467

IUPAC2-(5-bromo-2-phenylmethoxyphenyl)acetonitrile
SMILESN#CCc1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C15H12BrNO/c16-14-6-7-15(13(10-14)8-9-17)18-11-12-4-2-1-3-5-12/h1-7,10H,8,11H2
InChIKeyHSOFJEKOFHGCRC-UHFFFAOYSA-N
MW302.17 g/mol
LogP4.09
Rot. Bonds4

About 2-(5-bromo-2-phenylmethoxyphenyl)acetonitrile

2-(5-bromo-2-phenylmethoxyphenyl)acetonitrile (PubChem CID 22675467) has the molecular formula C15H12BrNO and a molecular weight of 302.17 g/mol. Its IUPAC name is 2-(5-bromo-2-phenylmethoxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-(5-bromo-2-phenylmethoxyphenyl)acetonitrile
PubChem CID22675467
Molecular FormulaC15H12BrNO
Molecular Weight302.17 g/mol
Exact Mass301.01
IUPAC Name2-(5-bromo-2-phenylmethoxyphenyl)acetonitrile
SMILESN#CCc1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C15H12BrNO/c16-14-6-7-15(13(10-14)8-9-17)18-11-12-4-2-1-3-5-12/h1-7,10H,8,11H2
InChIKeyHSOFJEKOFHGCRC-UHFFFAOYSA-N
XLogP4.09
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(5-bromo-2-phenylmethoxyphenyl)acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-bromo-3-(cyanomethyl)-2-phenylmethoxyphenyl]acetonitrile
CID 123197121
4-bromo-2-ethyl-1-phenylmethoxybenzene;ethane
CID 144758228
(5-bromo-2-phenylmethoxyphenyl)methylcarbamic acid
CID 68634173
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2-phenylethanamine
CID 4715742
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2-chloroaniline
CID 126187569
2-(7-bromo-4-phenylmethoxy-1H-indol-3-yl)acetonitrile
CID 10947826
2-(5-bromo-2-phenylmethoxyphenyl)propane-1,3-diol
CID 156555917
4-[[4-bromo-2-(hydroxymethyl)phenoxy]methyl]benzonitrile
CID 2440173
(1S)-1-(5-bromo-2-phenylmethoxyphenyl)ethanamine
CID 78937030
(1R)-1-(5-bromo-2-phenylmethoxyphenyl)ethanol
CID 78932268
4-bromo-2-(chloromethyl)-1-(phenylmethoxymethoxy)benzene
CID 102939906
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine
CID 17208055

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-phenylmethoxyphenyl)acetonitrile?
The IUPAC name of 2-(5-bromo-2-phenylmethoxyphenyl)acetonitrile (CID 22675467) is 2-(5-bromo-2-phenylmethoxyphenyl)acetonitrile.
What is the SMILES notation for 2-(5-bromo-2-phenylmethoxyphenyl)acetonitrile?
The canonical SMILES for 2-(5-bromo-2-phenylmethoxyphenyl)acetonitrile is N#CCc1cc(Br)ccc1OCc1ccccc1.
What is the InChIKey of 2-(5-bromo-2-phenylmethoxyphenyl)acetonitrile?
The InChIKey is HSOFJEKOFHGCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO/c16-14-6-7-15(13(10-14)8-9-17)18-11-12-4-2-1-3-5-12/h1-7,10H,8,11H2.
What are the key properties of 2-(5-bromo-2-phenylmethoxyphenyl)acetonitrile?
2-(5-bromo-2-phenylmethoxyphenyl)acetonitrile has a molecular weight of 302.17 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-phenylmethoxyphenyl)acetonitrile is sourced from PubChem (CID 22675467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).