1-[methoxy-(4-nitrophenyl)methyl]-2-propylindole

C19H20N2O3 — CID 11278772

IUPAC1-[methoxy-(4-nitrophenyl)methyl]-2-propylindole
SMILESCCCc1cc2ccccc2n1C(OC)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H20N2O3/c1-3-6-17-13-15-7-4-5-8-18(15)20(17)19(24-2)14-9-11-16(12-10-14)21(22)23/h4-5,7-13,19H,3,6H2,1-2H3
InChIKeyZFAHBOXAPDBLFF-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.70
Rot. Bonds6

About 1-[methoxy-(4-nitrophenyl)methyl]-2-propylindole

1-[methoxy-(4-nitrophenyl)methyl]-2-propylindole (PubChem CID 11278772) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-[methoxy-(4-nitrophenyl)methyl]-2-propylindole.

Molecular Properties

Compound Name1-[methoxy-(4-nitrophenyl)methyl]-2-propylindole
PubChem CID11278772
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name1-[methoxy-(4-nitrophenyl)methyl]-2-propylindole
SMILESCCCc1cc2ccccc2n1C(OC)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H20N2O3/c1-3-6-17-13-15-7-4-5-8-18(15)20(17)19(24-2)14-9-11-16(12-10-14)21(22)23/h4-5,7-13,19H,3,6H2,1-2H3
InChIKeyZFAHBOXAPDBLFF-UHFFFAOYSA-N
XLogP4.70
TPSA57.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.70
H-Bond Donors ≤ 50
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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Related Compounds

1-butyl-2-(4-nitrophenyl)indole
CID 12654268
6-nitro-1-propylquinolin-2-one;1-propylquinolin-2-one
CID 158476838
9-[ethoxy-(3-nitrophenyl)methyl]carbazole
CID 3773298
ethyl 2-(4-nitrophenyl)-2-phenylacetate
CID 171639560
1-ethyl-4-nitrobenzene;1-phenylethylbenzene
CID 145486394
1-[2-bromo-2-(4-methoxyphenyl)ethyl]-4-nitrobenzene
CID 63017817
ethane;1-nitro-4-propylbenzene
CID 123575523
1-nitro-4-(1-phenylethyl)benzene
CID 11790935
1-[2-(4-nitrophenyl)indol-1-yl]ethanone
CID 134941186
dimethyl 2-(4-nitrophenyl)propanedioate
CID 2764303
1-(1-methoxypropan-2-yl)-4-nitrobenzene
CID 86111209
1-[(1R,4R)-1,4-bis(methylsulfonyl)-4-(4-nitrophenyl)butyl]-4-nitrobenzene
CID 125465470

Frequently Asked Questions

What is the IUPAC name of 1-[methoxy-(4-nitrophenyl)methyl]-2-propylindole?
The IUPAC name of 1-[methoxy-(4-nitrophenyl)methyl]-2-propylindole (CID 11278772) is 1-[methoxy-(4-nitrophenyl)methyl]-2-propylindole.
What is the SMILES notation for 1-[methoxy-(4-nitrophenyl)methyl]-2-propylindole?
The canonical SMILES for 1-[methoxy-(4-nitrophenyl)methyl]-2-propylindole is CCCc1cc2ccccc2n1C(OC)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-[methoxy-(4-nitrophenyl)methyl]-2-propylindole?
The InChIKey is ZFAHBOXAPDBLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-3-6-17-13-15-7-4-5-8-18(15)20(17)19(24-2)14-9-11-16(12-10-14)21(22)23/h4-5,7-13,19H,3,6H2,1-2H3.
What are the key properties of 1-[methoxy-(4-nitrophenyl)methyl]-2-propylindole?
1-[methoxy-(4-nitrophenyl)methyl]-2-propylindole has a molecular weight of 324.38 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methoxy-(4-nitrophenyl)methyl]-2-propylindole is sourced from PubChem (CID 11278772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).