4-nitro-1-(phenylmethoxymethyl)indole

C16H14N2O3 — CID 102940734

IUPAC4-nitro-1-(phenylmethoxymethyl)indole
SMILESO=[N+]([O-])c1cccc2c1ccn2COCc1ccccc1
InChIInChI=1S/C16H14N2O3/c19-18(20)16-8-4-7-15-14(16)9-10-17(15)12-21-11-13-5-2-1-3-6-13/h1-10H,11-12H2
InChIKeyULRSMYOWBDFSAS-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.72
Rot. Bonds5

About 4-nitro-1-(phenylmethoxymethyl)indole

4-nitro-1-(phenylmethoxymethyl)indole (PubChem CID 102940734) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-nitro-1-(phenylmethoxymethyl)indole.

Molecular Properties

Compound Name4-nitro-1-(phenylmethoxymethyl)indole
PubChem CID102940734
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name4-nitro-1-(phenylmethoxymethyl)indole
SMILESO=[N+]([O-])c1cccc2c1ccn2COCc1ccccc1
InChIInChI=1S/C16H14N2O3/c19-18(20)16-8-4-7-15-14(16)9-10-17(15)12-21-11-13-5-2-1-3-6-13/h1-10H,11-12H2
InChIKeyULRSMYOWBDFSAS-UHFFFAOYSA-N
XLogP3.72
TPSA57.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.72
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

4-nitro-1-(2-phenoxyethyl)indole
CID 115635424
4-nitro-1-[(E)-3-phenylprop-2-enyl]indole
CID 115635429
4-ethoxy-1-(phenylmethoxymethyl)indole
CID 102940706
1-[(3-chlorophenyl)methyl]-4-nitroindole
CID 115635423
4-nitro-1-(2-phenylsulfanylethyl)indole
CID 116623422
3-methyl-1-(4-nitroindol-1-yl)butan-2-one
CID 79396035
1-[(2,6-dimethylphenyl)methyl]-4-nitroindole
CID 115651038
2-amino-3-(4-nitroindol-1-yl)propanoic acid
CID 65442436
4-[(4-nitroindol-1-yl)methyl]benzonitrile
CID 115635439
1-[(3,4-difluorophenyl)methyl]-4-nitroindole
CID 115651045
1-(4-methylpentyl)-4-nitroindole
CID 116623453
N-[3-(4-nitroindol-1-yl)propyl]acetamide
CID 75446448

Frequently Asked Questions

What is the IUPAC name of 4-nitro-1-(phenylmethoxymethyl)indole?
The IUPAC name of 4-nitro-1-(phenylmethoxymethyl)indole (CID 102940734) is 4-nitro-1-(phenylmethoxymethyl)indole.
What is the SMILES notation for 4-nitro-1-(phenylmethoxymethyl)indole?
The canonical SMILES for 4-nitro-1-(phenylmethoxymethyl)indole is O=[N+]([O-])c1cccc2c1ccn2COCc1ccccc1.
What is the InChIKey of 4-nitro-1-(phenylmethoxymethyl)indole?
The InChIKey is ULRSMYOWBDFSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-18(20)16-8-4-7-15-14(16)9-10-17(15)12-21-11-13-5-2-1-3-6-13/h1-10H,11-12H2.
What are the key properties of 4-nitro-1-(phenylmethoxymethyl)indole?
4-nitro-1-(phenylmethoxymethyl)indole has a molecular weight of 282.30 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-1-(phenylmethoxymethyl)indole is sourced from PubChem (CID 102940734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).