1-bromo-4-[(2-methylphenyl)-nitrosomethyl]benzene

C14H12BrNO — CID 142171176

IUPAC1-bromo-4-[(2-methylphenyl)-nitrosomethyl]benzene
SMILESCc1ccccc1C(N=O)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrNO/c1-10-4-2-3-5-13(10)14(16-17)11-6-8-12(15)9-7-11/h2-9,14H,1H3
InChIKeyZXENNCBECSFWAQ-UHFFFAOYSA-N
MW290.16 g/mol
LogP4.61
Rot. Bonds3

About 1-bromo-4-[(2-methylphenyl)-nitrosomethyl]benzene

1-bromo-4-[(2-methylphenyl)-nitrosomethyl]benzene (PubChem CID 142171176) has the molecular formula C14H12BrNO and a molecular weight of 290.16 g/mol. Its IUPAC name is 1-bromo-4-[(2-methylphenyl)-nitrosomethyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[(2-methylphenyl)-nitrosomethyl]benzene
PubChem CID142171176
Molecular FormulaC14H12BrNO
Molecular Weight290.16 g/mol
Exact Mass289.01
IUPAC Name1-bromo-4-[(2-methylphenyl)-nitrosomethyl]benzene
SMILESCc1ccccc1C(N=O)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrNO/c1-10-4-2-3-5-13(10)14(16-17)11-6-8-12(15)9-7-11/h2-9,14H,1H3
InChIKeyZXENNCBECSFWAQ-UHFFFAOYSA-N
XLogP4.61
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-4-[1-(2-methylphenyl)ethyl]benzene
CID 71518832
1-bromo-4-[bromo-(2-methylphenyl)methyl]benzene
CID 63439600
1-(4-bromophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]ethanamine
CID 81373795
3-(4-bromophenyl)-3-(2-methylphenyl)propanoic acid
CID 67015622
4-[3-(4-bromophenyl)-3-(2-methylphenyl)-1-nitrosopropyl]-2-methylpyridine
CID 91898731
4-[3-(4-bromophenyl)-3-(2-methylphenyl)-1-nitrosopropyl]thiane
CID 123406194
1,4-bis[nitroso(phenyl)methyl]benzene
CID 54419533
3-amino-2-(4-bromophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65186404
ethyl 3-(4-bromophenyl)-2-cyano-3-(2-methylphenyl)propanoate
CID 67015643
1-(4-bromophenyl)-1-(2-methylphenyl)-3-pyridin-4-ylpropan-2-one
CID 123290387
4-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 26944548
5-bromo-2-methylcyclohepta-2,4,6-trien-1-one
CID 153353164

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(2-methylphenyl)-nitrosomethyl]benzene?
The IUPAC name of 1-bromo-4-[(2-methylphenyl)-nitrosomethyl]benzene (CID 142171176) is 1-bromo-4-[(2-methylphenyl)-nitrosomethyl]benzene.
What is the SMILES notation for 1-bromo-4-[(2-methylphenyl)-nitrosomethyl]benzene?
The canonical SMILES for 1-bromo-4-[(2-methylphenyl)-nitrosomethyl]benzene is Cc1ccccc1C(N=O)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[(2-methylphenyl)-nitrosomethyl]benzene?
The InChIKey is ZXENNCBECSFWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO/c1-10-4-2-3-5-13(10)14(16-17)11-6-8-12(15)9-7-11/h2-9,14H,1H3.
What are the key properties of 1-bromo-4-[(2-methylphenyl)-nitrosomethyl]benzene?
1-bromo-4-[(2-methylphenyl)-nitrosomethyl]benzene has a molecular weight of 290.16 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(2-methylphenyl)-nitrosomethyl]benzene is sourced from PubChem (CID 142171176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).