1-[3-(4-methylphenoxy)propyl]-3-nitrosoindol-2-ol

C18H18N2O3 — CID 135575003

IUPAC1-[3-(4-methylphenoxy)propyl]-3-nitrosoindol-2-ol
SMILESCc1ccc(OCCCn2c(O)c(N=O)c3ccccc32)cc1
InChIInChI=1S/C18H18N2O3/c1-13-7-9-14(10-8-13)23-12-4-11-20-16-6-3-2-5-15(16)17(19-22)18(20)21/h2-3,5-10,21H,4,11-12H2,1H3
InChIKeyNFLCVBYXSJCHBB-UHFFFAOYSA-N
MW310.35 g/mol
LogP4.52
Rot. Bonds6

About 1-[3-(4-methylphenoxy)propyl]-3-nitrosoindol-2-ol

1-[3-(4-methylphenoxy)propyl]-3-nitrosoindol-2-ol (PubChem CID 135575003) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 1-[3-(4-methylphenoxy)propyl]-3-nitrosoindol-2-ol.

Molecular Properties

Compound Name1-[3-(4-methylphenoxy)propyl]-3-nitrosoindol-2-ol
PubChem CID135575003
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name1-[3-(4-methylphenoxy)propyl]-3-nitrosoindol-2-ol
SMILESCc1ccc(OCCCn2c(O)c(N=O)c3ccccc32)cc1
InChIInChI=1S/C18H18N2O3/c1-13-7-9-14(10-8-13)23-12-4-11-20-16-6-3-2-5-15(16)17(19-22)18(20)21/h2-3,5-10,21H,4,11-12H2,1H3
InChIKeyNFLCVBYXSJCHBB-UHFFFAOYSA-N
XLogP4.52
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.52
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-(4-bromophenoxy)propyl]-7-methyl-3-nitrosoindol-2-ol
CID 135575105
7-methyl-1-[3-(3-methylphenoxy)propyl]-3-nitrosoindol-2-ol
CID 135575098
1-[(4-methoxyphenyl)methyl]-3-nitrosoindol-2-ol
CID 2142444
4-methyl-1-[4-(4-methylphenoxy)butyl]quinolin-2-one
CID 39768022
[2-hydroxy-1-(3-phenoxypropyl)indol-3-yl]iminothiourea
CID 135629735
1-[[1-(3-methoxypropyl)benzimidazol-2-yl]methyl]-3-nitrosoindol-2-ol
CID 135730689
1-[4-(4-methylphenoxy)butyl]-3,1-benzoxazine-2,4-dione
CID 18802300
5-bromo-7-methyl-1-(3-naphthalen-2-yloxypropyl)-3-nitrosoindol-2-ol
CID 135575157
1-[2-(4-bromophenoxy)ethyl]-7-methyl-3-nitrosoindol-2-ol
CID 135575093
[2-hydroxy-3-[[2-(4-methylphenoxy)acetyl]diazenyl]indol-1-yl]methyl-dimethylazanium
CID 135848863
1-[2-methyl-1-[2-(4-methylphenoxy)ethyl]indol-3-yl]ethanone
CID 21380816
5-bromo-7-methyl-1-[3-(3-methylphenoxy)propyl]-3-nitrosoindol-2-ol
CID 135575148

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylphenoxy)propyl]-3-nitrosoindol-2-ol?
The IUPAC name of 1-[3-(4-methylphenoxy)propyl]-3-nitrosoindol-2-ol (CID 135575003) is 1-[3-(4-methylphenoxy)propyl]-3-nitrosoindol-2-ol.
What is the SMILES notation for 1-[3-(4-methylphenoxy)propyl]-3-nitrosoindol-2-ol?
The canonical SMILES for 1-[3-(4-methylphenoxy)propyl]-3-nitrosoindol-2-ol is Cc1ccc(OCCCn2c(O)c(N=O)c3ccccc32)cc1.
What is the InChIKey of 1-[3-(4-methylphenoxy)propyl]-3-nitrosoindol-2-ol?
The InChIKey is NFLCVBYXSJCHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-13-7-9-14(10-8-13)23-12-4-11-20-16-6-3-2-5-15(16)17(19-22)18(20)21/h2-3,5-10,21H,4,11-12H2,1H3.
What are the key properties of 1-[3-(4-methylphenoxy)propyl]-3-nitrosoindol-2-ol?
1-[3-(4-methylphenoxy)propyl]-3-nitrosoindol-2-ol has a molecular weight of 310.35 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylphenoxy)propyl]-3-nitrosoindol-2-ol is sourced from PubChem (CID 135575003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).