1-bromo-2-[(2-nitrophenyl)methyl]-2,3-dihydro-1H-indene

C16H14BrNO2 — CID 63471642

IUPAC1-bromo-2-[(2-nitrophenyl)methyl]-2,3-dihydro-1H-indene
SMILESO=[N+]([O-])c1ccccc1CC1Cc2ccccc2C1Br
InChIInChI=1S/C16H14BrNO2/c17-16-13(9-11-5-1-3-7-14(11)16)10-12-6-2-4-8-15(12)18(19)20/h1-8,13,16H,9-10H2
InChIKeyARWIIXRFTLDEII-UHFFFAOYSA-N
MW332.20 g/mol
LogP4.45
Rot. Bonds3

About 1-bromo-2-[(2-nitrophenyl)methyl]-2,3-dihydro-1H-indene

1-bromo-2-[(2-nitrophenyl)methyl]-2,3-dihydro-1H-indene (PubChem CID 63471642) has the molecular formula C16H14BrNO2 and a molecular weight of 332.20 g/mol. Its IUPAC name is 1-bromo-2-[(2-nitrophenyl)methyl]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name1-bromo-2-[(2-nitrophenyl)methyl]-2,3-dihydro-1H-indene
PubChem CID63471642
Molecular FormulaC16H14BrNO2
Molecular Weight332.20 g/mol
Exact Mass331.02
IUPAC Name1-bromo-2-[(2-nitrophenyl)methyl]-2,3-dihydro-1H-indene
SMILESO=[N+]([O-])c1ccccc1CC1Cc2ccccc2C1Br
InChIInChI=1S/C16H14BrNO2/c17-16-13(9-11-5-1-3-7-14(11)16)10-12-6-2-4-8-15(12)18(19)20/h1-8,13,16H,9-10H2
InChIKeyARWIIXRFTLDEII-UHFFFAOYSA-N
XLogP4.45
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2-[(2-fluoro-3-nitrophenyl)methyl]-2,3-dihydro-1H-indene
CID 107350555
1-bromo-2-[(2-chloro-6-nitrophenyl)methyl]-2,3-dihydro-1H-indene
CID 63745151
1-bromo-2-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-indene
CID 55192449
1-bromo-2-[(3-nitrophenyl)methyl]-2,3-dihydro-1H-indene
CID 63471251
2-[2-(2-nitrophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 63062129
2-[(4-bromo-2-nitrophenyl)methyl]-1-chloro-2,3-dihydro-1H-indene
CID 114382434
1-chloro-2-[(5-chloro-2-nitrophenyl)methyl]-2,3-dihydro-1H-indene
CID 79555363
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-nitrophenyl)ethanol
CID 66396989
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-(2-nitrophenyl)acetamide
CID 122137963
1-(2,2-dibromoethyl)-2-nitrobenzene
CID 3803942
N-[2-(2-nitrophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 63062965
1-nitro-2-(2,2,2-tribromoethyl)benzene
CID 142647889

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[(2-nitrophenyl)methyl]-2,3-dihydro-1H-indene?
The IUPAC name of 1-bromo-2-[(2-nitrophenyl)methyl]-2,3-dihydro-1H-indene (CID 63471642) is 1-bromo-2-[(2-nitrophenyl)methyl]-2,3-dihydro-1H-indene.
What is the SMILES notation for 1-bromo-2-[(2-nitrophenyl)methyl]-2,3-dihydro-1H-indene?
The canonical SMILES for 1-bromo-2-[(2-nitrophenyl)methyl]-2,3-dihydro-1H-indene is O=[N+]([O-])c1ccccc1CC1Cc2ccccc2C1Br.
What is the InChIKey of 1-bromo-2-[(2-nitrophenyl)methyl]-2,3-dihydro-1H-indene?
The InChIKey is ARWIIXRFTLDEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO2/c17-16-13(9-11-5-1-3-7-14(11)16)10-12-6-2-4-8-15(12)18(19)20/h1-8,13,16H,9-10H2.
What are the key properties of 1-bromo-2-[(2-nitrophenyl)methyl]-2,3-dihydro-1H-indene?
1-bromo-2-[(2-nitrophenyl)methyl]-2,3-dihydro-1H-indene has a molecular weight of 332.20 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[(2-nitrophenyl)methyl]-2,3-dihydro-1H-indene is sourced from PubChem (CID 63471642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).