1-methyl-4-[3-(nitrosomethyl)phenoxy]benzene

C14H13NO2 — CID 54002830

IUPAC1-methyl-4-[3-(nitrosomethyl)phenoxy]benzene
SMILESCc1ccc(Oc2cccc(CN=O)c2)cc1
InChIInChI=1S/C14H13NO2/c1-11-5-7-13(8-6-11)17-14-4-2-3-12(9-14)10-15-16/h2-9H,10H2,1H3
InChIKeyKMUWGAQEHAMESC-UHFFFAOYSA-N
MW227.26 g/mol
LogP4.05
Rot. Bonds4

About 1-methyl-4-[3-(nitrosomethyl)phenoxy]benzene

1-methyl-4-[3-(nitrosomethyl)phenoxy]benzene (PubChem CID 54002830) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-methyl-4-[3-(nitrosomethyl)phenoxy]benzene.

Molecular Properties

Compound Name1-methyl-4-[3-(nitrosomethyl)phenoxy]benzene
PubChem CID54002830
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name1-methyl-4-[3-(nitrosomethyl)phenoxy]benzene
SMILESCc1ccc(Oc2cccc(CN=O)c2)cc1
InChIInChI=1S/C14H13NO2/c1-11-5-7-13(8-6-11)17-14-4-2-3-12(9-14)10-15-16/h2-9H,10H2,1H3
InChIKeyKMUWGAQEHAMESC-UHFFFAOYSA-N
XLogP4.05
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis(nitrosomethyl)benzene
CID 54558218
1-[[3-(4-methylphenoxy)phenyl]methyl]pyrrolidine
CID 90725774
ethane;1-methyl-4-(3-phenylmethoxyphenoxy)benzene
CID 142197636
1-methyl-4-(4-methylphenoxy)benzene;1,3-xylene;1,4-xylene
CID 159470463
4-[3-[4-(4-methylphenoxy)phenoxy]phenoxy]aniline
CID 174332616
4-[3-[4-[3-(4-methylphenoxy)phenoxy]phenoxy]phenoxy]aniline
CID 174332614
[4-[3-[4-(4-methylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 90192164
1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]phenoxy]benzene
CID 22967305
methyl (2R)-2-[3-(nitrosomethyl)phenoxy]propanoate
CID 89196821
1-(2-chloro-2-nitrosoethyl)-3-phenoxybenzene
CID 91092835
1-ethyl-4-(3-methylphenoxy)benzene
CID 54200256
1-ethyl-3-(4-nitrophenoxy)benzene
CID 22968899

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(nitrosomethyl)phenoxy]benzene?
The IUPAC name of 1-methyl-4-[3-(nitrosomethyl)phenoxy]benzene (CID 54002830) is 1-methyl-4-[3-(nitrosomethyl)phenoxy]benzene.
What is the SMILES notation for 1-methyl-4-[3-(nitrosomethyl)phenoxy]benzene?
The canonical SMILES for 1-methyl-4-[3-(nitrosomethyl)phenoxy]benzene is Cc1ccc(Oc2cccc(CN=O)c2)cc1.
What is the InChIKey of 1-methyl-4-[3-(nitrosomethyl)phenoxy]benzene?
The InChIKey is KMUWGAQEHAMESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-11-5-7-13(8-6-11)17-14-4-2-3-12(9-14)10-15-16/h2-9H,10H2,1H3.
What are the key properties of 1-methyl-4-[3-(nitrosomethyl)phenoxy]benzene?
1-methyl-4-[3-(nitrosomethyl)phenoxy]benzene has a molecular weight of 227.26 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(nitrosomethyl)phenoxy]benzene is sourced from PubChem (CID 54002830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).