5-bromo-7-methyl-1-[(4-methylphenyl)methyl]-3-nitrosoindol-2-ol

C17H15BrN2O2 — CID 135575125

IUPAC5-bromo-7-methyl-1-[(4-methylphenyl)methyl]-3-nitrosoindol-2-ol
SMILESCc1ccc(Cn2c(O)c(N=O)c3cc(Br)cc(C)c32)cc1
InChIInChI=1S/C17H15BrN2O2/c1-10-3-5-12(6-4-10)9-20-16-11(2)7-13(18)8-14(16)15(19-22)17(20)21/h3-8,21H,9H2,1-2H3
InChIKeyKEFSGEYUKSLMJO-UHFFFAOYSA-N
MW359.22 g/mol
LogP5.17
Rot. Bonds3

About 5-bromo-7-methyl-1-[(4-methylphenyl)methyl]-3-nitrosoindol-2-ol

5-bromo-7-methyl-1-[(4-methylphenyl)methyl]-3-nitrosoindol-2-ol (PubChem CID 135575125) has the molecular formula C17H15BrN2O2 and a molecular weight of 359.22 g/mol. Its IUPAC name is 5-bromo-7-methyl-1-[(4-methylphenyl)methyl]-3-nitrosoindol-2-ol.

Molecular Properties

Compound Name5-bromo-7-methyl-1-[(4-methylphenyl)methyl]-3-nitrosoindol-2-ol
PubChem CID135575125
Molecular FormulaC17H15BrN2O2
Molecular Weight359.22 g/mol
Exact Mass358.03
IUPAC Name5-bromo-7-methyl-1-[(4-methylphenyl)methyl]-3-nitrosoindol-2-ol
SMILESCc1ccc(Cn2c(O)c(N=O)c3cc(Br)cc(C)c32)cc1
InChIInChI=1S/C17H15BrN2O2/c1-10-3-5-12(6-4-10)9-20-16-11(2)7-13(18)8-14(16)15(19-22)17(20)21/h3-8,21H,9H2,1-2H3
InChIKeyKEFSGEYUKSLMJO-UHFFFAOYSA-N
XLogP5.17
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.22
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-methyl-1-[(4-methylphenyl)methyl]-3-nitrosoindol-2-ol?
The IUPAC name of 5-bromo-7-methyl-1-[(4-methylphenyl)methyl]-3-nitrosoindol-2-ol (CID 135575125) is 5-bromo-7-methyl-1-[(4-methylphenyl)methyl]-3-nitrosoindol-2-ol.
What is the SMILES notation for 5-bromo-7-methyl-1-[(4-methylphenyl)methyl]-3-nitrosoindol-2-ol?
The canonical SMILES for 5-bromo-7-methyl-1-[(4-methylphenyl)methyl]-3-nitrosoindol-2-ol is Cc1ccc(Cn2c(O)c(N=O)c3cc(Br)cc(C)c32)cc1.
What is the InChIKey of 5-bromo-7-methyl-1-[(4-methylphenyl)methyl]-3-nitrosoindol-2-ol?
The InChIKey is KEFSGEYUKSLMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O2/c1-10-3-5-12(6-4-10)9-20-16-11(2)7-13(18)8-14(16)15(19-22)17(20)21/h3-8,21H,9H2,1-2H3.
What are the key properties of 5-bromo-7-methyl-1-[(4-methylphenyl)methyl]-3-nitrosoindol-2-ol?
5-bromo-7-methyl-1-[(4-methylphenyl)methyl]-3-nitrosoindol-2-ol has a molecular weight of 359.22 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-methyl-1-[(4-methylphenyl)methyl]-3-nitrosoindol-2-ol is sourced from PubChem (CID 135575125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).