1-methyl-4-[2-(nitrosomethyl)phenyl]benzene

C14H13NO — CID 54442957

IUPAC1-methyl-4-[2-(nitrosomethyl)phenyl]benzene
SMILESCc1ccc(-c2ccccc2CN=O)cc1
InChIInChI=1S/C14H13NO/c1-11-6-8-12(9-7-11)14-5-3-2-4-13(14)10-15-16/h2-9H,10H2,1H3
InChIKeyWPLJGQJHIJWLGC-UHFFFAOYSA-N
MW211.26 g/mol
LogP3.93
Rot. Bonds3

About 1-methyl-4-[2-(nitrosomethyl)phenyl]benzene

1-methyl-4-[2-(nitrosomethyl)phenyl]benzene (PubChem CID 54442957) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-methyl-4-[2-(nitrosomethyl)phenyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[2-(nitrosomethyl)phenyl]benzene
PubChem CID54442957
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name1-methyl-4-[2-(nitrosomethyl)phenyl]benzene
SMILESCc1ccc(-c2ccccc2CN=O)cc1
InChIInChI=1S/C14H13NO/c1-11-6-8-12(9-7-11)14-5-3-2-4-13(14)10-15-16/h2-9H,10H2,1H3
InChIKeyWPLJGQJHIJWLGC-UHFFFAOYSA-N
XLogP3.93
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-methylphenyl)phenyl]acetyl chloride
CID 23292502
N,N-dimethyl-1-[2-(4-methylphenyl)phenyl]methanamine
CID 21301167
1-(2,2-dimethylpropyl)-2-(4-methylphenyl)benzene;methane
CID 161201714
1-butyl-2-(4-methylphenyl)benzene
CID 58626581
ethane;1-methyl-4-[4-(nitrosomethyl)phenyl]benzene
CID 145467953
1-methyl-2-(nitrosomethyl)benzene;prop-1-ene
CID 142083370
[2,3-bis(4-methylphenyl)phenyl]methanol
CID 67427826
ethane;bis(1-ethyl-2-phenylbenzene);propane
CID 145452261
1-ethyl-2-iodobenzene;1-ethyl-2-(4-methylphenyl)benzene;(4-methylphenyl)boronic acid
CID 160549881
1-methyl-4-(2-phenylphenyl)benzene;phosphoric acid
CID 67896941
(4-methylphenyl)-[4-[2-(4-methylphenyl)phenyl]phenyl]methanone
CID 175461017
N-[2-(4-methylphenyl)phenyl]methanimine
CID 54308926

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(nitrosomethyl)phenyl]benzene?
The IUPAC name of 1-methyl-4-[2-(nitrosomethyl)phenyl]benzene (CID 54442957) is 1-methyl-4-[2-(nitrosomethyl)phenyl]benzene.
What is the SMILES notation for 1-methyl-4-[2-(nitrosomethyl)phenyl]benzene?
The canonical SMILES for 1-methyl-4-[2-(nitrosomethyl)phenyl]benzene is Cc1ccc(-c2ccccc2CN=O)cc1.
What is the InChIKey of 1-methyl-4-[2-(nitrosomethyl)phenyl]benzene?
The InChIKey is WPLJGQJHIJWLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c1-11-6-8-12(9-7-11)14-5-3-2-4-13(14)10-15-16/h2-9H,10H2,1H3.
What are the key properties of 1-methyl-4-[2-(nitrosomethyl)phenyl]benzene?
1-methyl-4-[2-(nitrosomethyl)phenyl]benzene has a molecular weight of 211.26 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(nitrosomethyl)phenyl]benzene is sourced from PubChem (CID 54442957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).