3-methyl-2-(4-nitrophenyl)-1-propylindol-5-ol

C18H18N2O3 — CID 20529108

IUPAC3-methyl-2-(4-nitrophenyl)-1-propylindol-5-ol
SMILESCCCn1c(-c2ccc([N+](=O)[O-])cc2)c(C)c2cc(O)ccc21
InChIInChI=1S/C18H18N2O3/c1-3-10-19-17-9-8-15(21)11-16(17)12(2)18(19)13-4-6-14(7-5-13)20(22)23/h4-9,11,21H,3,10H2,1-2H3
InChIKeyUZARSNXTMUTDLR-UHFFFAOYSA-N
MW310.35 g/mol
LogP4.64
Rot. Bonds4

About 3-methyl-2-(4-nitrophenyl)-1-propylindol-5-ol

3-methyl-2-(4-nitrophenyl)-1-propylindol-5-ol (PubChem CID 20529108) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 3-methyl-2-(4-nitrophenyl)-1-propylindol-5-ol.

Molecular Properties

Compound Name3-methyl-2-(4-nitrophenyl)-1-propylindol-5-ol
PubChem CID20529108
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name3-methyl-2-(4-nitrophenyl)-1-propylindol-5-ol
SMILESCCCn1c(-c2ccc([N+](=O)[O-])cc2)c(C)c2cc(O)ccc21
InChIInChI=1S/C18H18N2O3/c1-3-10-19-17-9-8-15(21)11-16(17)12(2)18(19)13-4-6-14(7-5-13)20(22)23/h4-9,11,21H,3,10H2,1-2H3
InChIKeyUZARSNXTMUTDLR-UHFFFAOYSA-N
XLogP4.64
TPSA68.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-nitrophenyl)-1-propylindol-5-ol?
The IUPAC name of 3-methyl-2-(4-nitrophenyl)-1-propylindol-5-ol (CID 20529108) is 3-methyl-2-(4-nitrophenyl)-1-propylindol-5-ol.
What is the SMILES notation for 3-methyl-2-(4-nitrophenyl)-1-propylindol-5-ol?
The canonical SMILES for 3-methyl-2-(4-nitrophenyl)-1-propylindol-5-ol is CCCn1c(-c2ccc([N+](=O)[O-])cc2)c(C)c2cc(O)ccc21.
What is the InChIKey of 3-methyl-2-(4-nitrophenyl)-1-propylindol-5-ol?
The InChIKey is UZARSNXTMUTDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-3-10-19-17-9-8-15(21)11-16(17)12(2)18(19)13-4-6-14(7-5-13)20(22)23/h4-9,11,21H,3,10H2,1-2H3.
What are the key properties of 3-methyl-2-(4-nitrophenyl)-1-propylindol-5-ol?
3-methyl-2-(4-nitrophenyl)-1-propylindol-5-ol has a molecular weight of 310.35 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-nitrophenyl)-1-propylindol-5-ol is sourced from PubChem (CID 20529108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).