ethane;1-methyl-4-[4-(nitrosomethyl)phenyl]benzene

C18H25NO — CID 145467953

IUPACethane;1-methyl-4-[4-(nitrosomethyl)phenyl]benzene
SMILESCC.CC.Cc1ccc(-c2ccc(CN=O)cc2)cc1
InChIInChI=1S/C14H13NO.2C2H6/c1-11-2-6-13(7-3-11)14-8-4-12(5-9-14)10-15-16;2*1-2/h2-9H,10H2,1H3;2*1-2H3
InChIKeyXOJROKBIEMJLAW-UHFFFAOYSA-N
MW271.40 g/mol
LogP5.98
Rot. Bonds3

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

ethane;1-methyl-4-[4-(nitrosomethyl)phenyl]benzene (PubChem CID 145467953) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is ethane;1-methyl-4-[4-(nitrosomethyl)phenyl]benzene.

Molecular Properties

Compound Nameethane;1-methyl-4-[4-(nitrosomethyl)phenyl]benzene
PubChem CID145467953
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Nameethane;1-methyl-4-[4-(nitrosomethyl)phenyl]benzene
SMILESCC.CC.Cc1ccc(-c2ccc(CN=O)cc2)cc1
InChIInChI=1S/C14H13NO.2C2H6/c1-11-2-6-13(7-3-11)14-8-4-12(5-9-14)10-15-16;2*1-2/h2-9H,10H2,1H3;2*1-2H3
InChIKeyXOJROKBIEMJLAW-UHFFFAOYSA-N
XLogP5.98
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.40
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[4-[4-(nitrosomethyl)phenyl]phenyl]methyl]pyrrolidine
CID 90956572
1-(bromomethyl)-4-(4-methylphenyl)benzene;methane
CID 157394028
1-methyl-4-[2-(nitrosomethyl)phenyl]benzene
CID 54442957
3-methyl-5-[4-(nitrosomethyl)phenyl]-1,2-dihydropyridine
CID 118549048
3-[4-(4-methylphenyl)phenyl]-N-oxopropanamide
CID 142073021
1-methyl-4-[3-(nitrosomethyl)phenoxy]benzene
CID 54002830
benzene;ethane;1-methyl-4-(4-methylphenyl)benzene
CID 161197560
(4-methylphenyl)methyl nitrite
CID 12749829
3-[4-(4-methylphenyl)phenyl]propanal
CID 145376842
1-methyl-4-(4-propylphenyl)benzene
CID 157416879
1-(4-methylphenyl)-N-[[4-(4-methylphenyl)phenyl]methyl]methanamine
CID 171059943
ethane;1,3,5-tris(4-methylphenyl)benzene
CID 91508266

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-[4-(nitrosomethyl)phenyl]benzene?
The IUPAC name of ethane;1-methyl-4-[4-(nitrosomethyl)phenyl]benzene (CID 145467953) is ethane;1-methyl-4-[4-(nitrosomethyl)phenyl]benzene.
What is the SMILES notation for ethane;1-methyl-4-[4-(nitrosomethyl)phenyl]benzene?
The canonical SMILES for ethane;1-methyl-4-[4-(nitrosomethyl)phenyl]benzene is CC.CC.Cc1ccc(-c2ccc(CN=O)cc2)cc1.
What is the InChIKey of ethane;1-methyl-4-[4-(nitrosomethyl)phenyl]benzene?
The InChIKey is XOJROKBIEMJLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO.2C2H6/c1-11-2-6-13(7-3-11)14-8-4-12(5-9-14)10-15-16;2*1-2/h2-9H,10H2,1H3;2*1-2H3.
What are the key properties of ethane;1-methyl-4-[4-(nitrosomethyl)phenyl]benzene?
ethane;1-methyl-4-[4-(nitrosomethyl)phenyl]benzene has a molecular weight of 271.40 g/mol, XLogP of 5.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-[4-(nitrosomethyl)phenyl]benzene is sourced from PubChem (CID 145467953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).