2-(4-methoxyphenyl)-1-methyl-3-nitrosoindole

C16H14N2O2 — CID 155676892

IUPAC2-(4-methoxyphenyl)-1-methyl-3-nitrosoindole
SMILESCOc1ccc(-c2c(N=O)c3ccccc3n2C)cc1
InChIInChI=1S/C16H14N2O2/c1-18-14-6-4-3-5-13(14)15(17-19)16(18)11-7-9-12(20-2)10-8-11/h3-10H,1-2H3
InChIKeyIJRKWTKMOCKRCW-UHFFFAOYSA-N
MW266.30 g/mol
LogP4.25
Rot. Bonds3

About 2-(4-methoxyphenyl)-1-methyl-3-nitrosoindole

2-(4-methoxyphenyl)-1-methyl-3-nitrosoindole (PubChem CID 155676892) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-methyl-3-nitrosoindole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-methyl-3-nitrosoindole
PubChem CID155676892
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-(4-methoxyphenyl)-1-methyl-3-nitrosoindole
SMILESCOc1ccc(-c2c(N=O)c3ccccc3n2C)cc1
InChIInChI=1S/C16H14N2O2/c1-18-14-6-4-3-5-13(14)15(17-19)16(18)11-7-9-12(20-2)10-8-11/h3-10H,1-2H3
InChIKeyIJRKWTKMOCKRCW-UHFFFAOYSA-N
XLogP4.25
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-methoxyphenyl)-1-methylindol-3-yl]isoindole-1,3-dione
CID 132607636
N-acetyl-N-tert-butyl-2-(4-methoxyphenyl)-1-methylindole-3-carboxamide
CID 102440445
1-[(4-methoxyphenyl)methyl]-3-nitrosoindol-2-ol
CID 2142444
1,3-difluoro-2-(4-methoxyphenyl)indole
CID 175894161
(4-tert-butylphenyl)-[2-(4-tert-butylphenyl)-1-methylindol-3-yl]diazene
CID 171784022
2-(4-chlorophenyl)-1-ethyl-3-nitrosoindole
CID 154105715
3-(4-methoxyphenyl)-4-methylthieno[3,4-b]indole
CID 10493963
1-butyl-3-nitroso-2-phenylindole
CID 155676886
(4-ethylphenyl)-[2-(4-ethylphenyl)-1-methylindol-3-yl]diazene
CID 171784027
2-(4-methoxyphenyl)-9-methylcarbazol-4-ol
CID 155167849
3-iodo-4-(4-methoxyphenyl)-9-methylcarbazole
CID 139045597
9-[4-(4-methoxyphenyl)phenyl]carbazole
CID 58905910

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-methyl-3-nitrosoindole?
The IUPAC name of 2-(4-methoxyphenyl)-1-methyl-3-nitrosoindole (CID 155676892) is 2-(4-methoxyphenyl)-1-methyl-3-nitrosoindole.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-methyl-3-nitrosoindole?
The canonical SMILES for 2-(4-methoxyphenyl)-1-methyl-3-nitrosoindole is COc1ccc(-c2c(N=O)c3ccccc3n2C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-methyl-3-nitrosoindole?
The InChIKey is IJRKWTKMOCKRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-18-14-6-4-3-5-13(14)15(17-19)16(18)11-7-9-12(20-2)10-8-11/h3-10H,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-1-methyl-3-nitrosoindole?
2-(4-methoxyphenyl)-1-methyl-3-nitrosoindole has a molecular weight of 266.30 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-methyl-3-nitrosoindole is sourced from PubChem (CID 155676892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).