5-bromo-7-methyl-3-nitroso-1-[(2-pentoxyphenyl)methyl]indol-2-ol

C21H23BrN2O3 — CID 135575114

IUPAC5-bromo-7-methyl-3-nitroso-1-[(2-pentoxyphenyl)methyl]indol-2-ol
SMILESCCCCCOc1ccccc1Cn1c(O)c(N=O)c2cc(Br)cc(C)c21
InChIInChI=1S/C21H23BrN2O3/c1-3-4-7-10-27-18-9-6-5-8-15(18)13-24-20-14(2)11-16(22)12-17(20)19(23-26)21(24)25/h5-6,8-9,11-12,25H,3-4,7,10,13H2,1-2H3
InChIKeyKGPMNKOELNZJBP-UHFFFAOYSA-N
MW431.33 g/mol
LogP6.43
Rot. Bonds8

About 5-bromo-7-methyl-3-nitroso-1-[(2-pentoxyphenyl)methyl]indol-2-ol

5-bromo-7-methyl-3-nitroso-1-[(2-pentoxyphenyl)methyl]indol-2-ol (PubChem CID 135575114) has the molecular formula C21H23BrN2O3 and a molecular weight of 431.33 g/mol. Its IUPAC name is 5-bromo-7-methyl-3-nitroso-1-[(2-pentoxyphenyl)methyl]indol-2-ol.

Molecular Properties

Compound Name5-bromo-7-methyl-3-nitroso-1-[(2-pentoxyphenyl)methyl]indol-2-ol
PubChem CID135575114
Molecular FormulaC21H23BrN2O3
Molecular Weight431.33 g/mol
Exact Mass430.09
IUPAC Name5-bromo-7-methyl-3-nitroso-1-[(2-pentoxyphenyl)methyl]indol-2-ol
SMILESCCCCCOc1ccccc1Cn1c(O)c(N=O)c2cc(Br)cc(C)c21
InChIInChI=1S/C21H23BrN2O3/c1-3-4-7-10-27-18-9-6-5-8-15(18)13-24-20-14(2)11-16(22)12-17(20)19(23-26)21(24)25/h5-6,8-9,11-12,25H,3-4,7,10,13H2,1-2H3
InChIKeyKGPMNKOELNZJBP-UHFFFAOYSA-N
XLogP6.43
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.33
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(3-methoxy-4-pentoxyphenyl)methyl]-7-methyl-3-nitrosoindol-2-ol
CID 135575083
5-bromo-7-methyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-3-nitrosoindol-2-ol
CID 135575141
1-ethyl-2-heptoxybenzene
CID 22723794
N-[7-(benzhydrylideneamino)-9-[(2-hexoxyphenyl)methyl]carbazol-2-yl]-1,1-diphenylmethanimine
CID 134281169
N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-pentoxybenzohydrazide
CID 4946860
1-(2-methylphenyl)-N-[(2-pentoxyphenyl)methyl]methanamine
CID 54803563
1-(bromomethyl)-2-dodecoxybenzene
CID 63534495
(2-octoxyphenyl)methanol
CID 43128604
5-chloro-3-nitroso-1-[(4-pentoxyphenyl)methyl]indol-2-ol
CID 135575223
7-methyl-1-[3-(3-methylphenoxy)propyl]-3-nitrosoindol-2-ol
CID 135575098
7-methyl-6-[(2-propoxyphenyl)methyl]indolo[3,2-b]quinoxaline
CID 3700504
2-(2-pentoxyphenyl)ethanol
CID 91657515

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-methyl-3-nitroso-1-[(2-pentoxyphenyl)methyl]indol-2-ol?
The IUPAC name of 5-bromo-7-methyl-3-nitroso-1-[(2-pentoxyphenyl)methyl]indol-2-ol (CID 135575114) is 5-bromo-7-methyl-3-nitroso-1-[(2-pentoxyphenyl)methyl]indol-2-ol.
What is the SMILES notation for 5-bromo-7-methyl-3-nitroso-1-[(2-pentoxyphenyl)methyl]indol-2-ol?
The canonical SMILES for 5-bromo-7-methyl-3-nitroso-1-[(2-pentoxyphenyl)methyl]indol-2-ol is CCCCCOc1ccccc1Cn1c(O)c(N=O)c2cc(Br)cc(C)c21.
What is the InChIKey of 5-bromo-7-methyl-3-nitroso-1-[(2-pentoxyphenyl)methyl]indol-2-ol?
The InChIKey is KGPMNKOELNZJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN2O3/c1-3-4-7-10-27-18-9-6-5-8-15(18)13-24-20-14(2)11-16(22)12-17(20)19(23-26)21(24)25/h5-6,8-9,11-12,25H,3-4,7,10,13H2,1-2H3.
What are the key properties of 5-bromo-7-methyl-3-nitroso-1-[(2-pentoxyphenyl)methyl]indol-2-ol?
5-bromo-7-methyl-3-nitroso-1-[(2-pentoxyphenyl)methyl]indol-2-ol has a molecular weight of 431.33 g/mol, XLogP of 6.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-methyl-3-nitroso-1-[(2-pentoxyphenyl)methyl]indol-2-ol is sourced from PubChem (CID 135575114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).