5-methoxy-3-[(1R)-1-(4-methoxyphenyl)-2-nitroethyl]-1H-indole

C18H18N2O4 — CID 102154292

IUPAC5-methoxy-3-[(1R)-1-(4-methoxyphenyl)-2-nitroethyl]-1H-indole
SMILESCOc1ccc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccc(OC)cc23)cc1
InChIInChI=1S/C18H18N2O4/c1-23-13-5-3-12(4-6-13)17(11-20(21)22)16-10-19-18-8-7-14(24-2)9-15(16)18/h3-10,17,19H,11H2,1-2H3/t17-/m1/s1
InChIKeyVTJLBPCUHCPJDH-QGZVFWFLSA-N
MW326.35 g/mol
LogP3.59
Rot. Bonds6

About 5-methoxy-3-[(1R)-1-(4-methoxyphenyl)-2-nitroethyl]-1H-indole

5-methoxy-3-[(1R)-1-(4-methoxyphenyl)-2-nitroethyl]-1H-indole (PubChem CID 102154292) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 5-methoxy-3-[(1R)-1-(4-methoxyphenyl)-2-nitroethyl]-1H-indole.

Molecular Properties

Compound Name5-methoxy-3-[(1R)-1-(4-methoxyphenyl)-2-nitroethyl]-1H-indole
PubChem CID102154292
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name5-methoxy-3-[(1R)-1-(4-methoxyphenyl)-2-nitroethyl]-1H-indole
SMILESCOc1ccc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccc(OC)cc23)cc1
InChIInChI=1S/C18H18N2O4/c1-23-13-5-3-12(4-6-13)17(11-20(21)22)16-10-19-18-8-7-14(24-2)9-15(16)18/h3-10,17,19H,11H2,1-2H3/t17-/m1/s1
InChIKeyVTJLBPCUHCPJDH-QGZVFWFLSA-N
XLogP3.59
TPSA77.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.59
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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Related Compounds

5-methoxy-3-[(1R)-2-nitro-1-phenylethyl]-1H-indole
CID 93117865
5-methoxy-3-[(1S)-2-nitro-1-phenylethyl]-1H-indole
CID 93117864
3-(5-methoxy-1H-indol-3-yl)-3-phenylpropan-1-ol
CID 177308406
3-[2-nitro-1-(3,4,5-trimethoxyphenyl)ethyl]-1H-indole
CID 24764118
3-(2-nitro-1-phenylethyl)-1H-indole
CID 2740778
5-methoxy-3-propan-2-yl-1H-indole;oxalic acid
CID 19389680
N-[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-4-methylsulfonyl-2-nitroaniline
CID 40943682
7-methoxy-1-[(1S)-2-nitro-1-phenylethyl]naphthalen-2-ol
CID 102319739
3-(3,4-dichlorophenyl)-3-(5-methoxy-1H-indol-3-yl)propanamide
CID 83284948
N-[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-nitropyridin-2-amine
CID 9113380
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-nitropyridin-2-amine
CID 9113383
N-[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-nitrobenzenesulfonamide
CID 30328329

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[(1R)-1-(4-methoxyphenyl)-2-nitroethyl]-1H-indole?
The IUPAC name of 5-methoxy-3-[(1R)-1-(4-methoxyphenyl)-2-nitroethyl]-1H-indole (CID 102154292) is 5-methoxy-3-[(1R)-1-(4-methoxyphenyl)-2-nitroethyl]-1H-indole.
What is the SMILES notation for 5-methoxy-3-[(1R)-1-(4-methoxyphenyl)-2-nitroethyl]-1H-indole?
The canonical SMILES for 5-methoxy-3-[(1R)-1-(4-methoxyphenyl)-2-nitroethyl]-1H-indole is COc1ccc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccc(OC)cc23)cc1.
What is the InChIKey of 5-methoxy-3-[(1R)-1-(4-methoxyphenyl)-2-nitroethyl]-1H-indole?
The InChIKey is VTJLBPCUHCPJDH-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-23-13-5-3-12(4-6-13)17(11-20(21)22)16-10-19-18-8-7-14(24-2)9-15(16)18/h3-10,17,19H,11H2,1-2H3/t17-/m1/s1.
What are the key properties of 5-methoxy-3-[(1R)-1-(4-methoxyphenyl)-2-nitroethyl]-1H-indole?
5-methoxy-3-[(1R)-1-(4-methoxyphenyl)-2-nitroethyl]-1H-indole has a molecular weight of 326.35 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[(1R)-1-(4-methoxyphenyl)-2-nitroethyl]-1H-indole is sourced from PubChem (CID 102154292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).