3-[(3-bromophenyl)methoxy]-5-methoxybenzonitrile

C15H12BrNO2 — CID 103567180

IUPAC3-[(3-bromophenyl)methoxy]-5-methoxybenzonitrile
SMILESCOc1cc(C#N)cc(OCc2cccc(Br)c2)c1
InChIInChI=1S/C15H12BrNO2/c1-18-14-6-12(9-17)7-15(8-14)19-10-11-3-2-4-13(16)5-11/h2-8H,10H2,1H3
InChIKeyRUFOTWWOANKLTQ-UHFFFAOYSA-N
MW318.17 g/mol
LogP3.91
Rot. Bonds4

About 3-[(3-bromophenyl)methoxy]-5-methoxybenzonitrile

3-[(3-bromophenyl)methoxy]-5-methoxybenzonitrile (PubChem CID 103567180) has the molecular formula C15H12BrNO2 and a molecular weight of 318.17 g/mol. Its IUPAC name is 3-[(3-bromophenyl)methoxy]-5-methoxybenzonitrile.

Molecular Properties

Compound Name3-[(3-bromophenyl)methoxy]-5-methoxybenzonitrile
PubChem CID103567180
Molecular FormulaC15H12BrNO2
Molecular Weight318.17 g/mol
Exact Mass317.01
IUPAC Name3-[(3-bromophenyl)methoxy]-5-methoxybenzonitrile
SMILESCOc1cc(C#N)cc(OCc2cccc(Br)c2)c1
InChIInChI=1S/C15H12BrNO2/c1-18-14-6-12(9-17)7-15(8-14)19-10-11-3-2-4-13(16)5-11/h2-8H,10H2,1H3
InChIKeyRUFOTWWOANKLTQ-UHFFFAOYSA-N
XLogP3.91
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-bromophenyl)methoxy]-5-methoxyaniline
CID 82828787
3-[(5-bromo-3-pyridinyl)methoxy]-5-methoxybenzonitrile
CID 103567139
4-[(3,5-dimethoxyphenoxy)methyl]benzonitrile
CID 7707174
4-[(3-bromophenyl)methoxy]-2-methylbenzonitrile
CID 82825564
4-[(3-bromophenyl)methoxy]-3,5-dichlorobenzonitrile
CID 91683303
3-[(4-bromo-2-fluorophenyl)methoxy]-5-methoxybenzonitrile
CID 103567000
3-[(2-amino-4-bromophenyl)methoxy]-5-methoxybenzonitrile
CID 103566498
3-[(3-amino-4-methoxyphenyl)methoxy]-5-methoxybenzonitrile
CID 103566547
3-[(5-bromo-2-pyridinyl)methoxy]-5-methoxybenzonitrile
CID 103566817
1-[4-[(3-bromophenyl)methoxy]phenyl]-N-methylmethanamine
CID 60880082
3-[(3-cyano-5-methoxyphenoxy)methyl]-5-fluorobenzonitrile
CID 103566793
3-[3-[(3-bromophenyl)methoxy]propoxy]benzonitrile
CID 82807937

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)methoxy]-5-methoxybenzonitrile?
The IUPAC name of 3-[(3-bromophenyl)methoxy]-5-methoxybenzonitrile (CID 103567180) is 3-[(3-bromophenyl)methoxy]-5-methoxybenzonitrile.
What is the SMILES notation for 3-[(3-bromophenyl)methoxy]-5-methoxybenzonitrile?
The canonical SMILES for 3-[(3-bromophenyl)methoxy]-5-methoxybenzonitrile is COc1cc(C#N)cc(OCc2cccc(Br)c2)c1.
What is the InChIKey of 3-[(3-bromophenyl)methoxy]-5-methoxybenzonitrile?
The InChIKey is RUFOTWWOANKLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO2/c1-18-14-6-12(9-17)7-15(8-14)19-10-11-3-2-4-13(16)5-11/h2-8H,10H2,1H3.
What are the key properties of 3-[(3-bromophenyl)methoxy]-5-methoxybenzonitrile?
3-[(3-bromophenyl)methoxy]-5-methoxybenzonitrile has a molecular weight of 318.17 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)methoxy]-5-methoxybenzonitrile is sourced from PubChem (CID 103567180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).