3-(2-bromopropyl)-1H-indene

C12H13Br — CID 23559641

IUPAC3-(2-bromopropyl)-1H-indene
SMILESCC(Br)CC1=CCc2ccccc21
InChIInChI=1S/C12H13Br/c1-9(13)8-11-7-6-10-4-2-3-5-12(10)11/h2-5,7,9H,6,8H2,1H3
InChIKeyLXLXZYGFKCSFAO-UHFFFAOYSA-N
MW237.14 g/mol
LogP3.80
Rot. Bonds2

About 3-(2-bromopropyl)-1H-indene

3-(2-bromopropyl)-1H-indene (PubChem CID 23559641) has the molecular formula C12H13Br and a molecular weight of 237.14 g/mol. Its IUPAC name is 3-(2-bromopropyl)-1H-indene.

Molecular Properties

Compound Name3-(2-bromopropyl)-1H-indene
PubChem CID23559641
Molecular FormulaC12H13Br
Molecular Weight237.14 g/mol
Exact Mass236.02
IUPAC Name3-(2-bromopropyl)-1H-indene
SMILESCC(Br)CC1=CCc2ccccc21
InChIInChI=1S/C12H13Br/c1-9(13)8-11-7-6-10-4-2-3-5-12(10)11/h2-5,7,9H,6,8H2,1H3
InChIKeyLXLXZYGFKCSFAO-UHFFFAOYSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.14
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[(2S,5S)-6-fluoro-2,5-dimethylhexyl]-1H-indene
CID 157089800
3-(chloromethyl)-1H-indene
CID 55301076
1-(3H-inden-1-yl)-N-methylmethanamine
CID 105431281
1-(3H-inden-1-yl)-N,N-dimethylmethanamine
CID 20658444
methyl (2R)-2-amino-3-(3H-inden-1-yl)propanoate
CID 58249638
3-(3-bromobutan-2-yl)-1H-indene
CID 21495321
3-[1-(3H-inden-1-yl)but-3-en-2-yl]-1H-indene
CID 102489808
2,2-difluoro-N-[(2R)-1-(3H-inden-1-yl)propan-2-yl]propanamide
CID 159817588
2-(3H-inden-1-yl)-N-methylethanamine
CID 58164560
acetic acid;3H-inden-1-ylmethanol
CID 71363289
dichlorozirconium;3-propyl-1H-indene
CID 175084745
N-[(2R)-1-(3H-inden-1-yl)butan-2-yl]-5,6-dimethyl-1,2,4-triazin-3-amine
CID 89433385

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromopropyl)-1H-indene?
The IUPAC name of 3-(2-bromopropyl)-1H-indene (CID 23559641) is 3-(2-bromopropyl)-1H-indene.
What is the SMILES notation for 3-(2-bromopropyl)-1H-indene?
The canonical SMILES for 3-(2-bromopropyl)-1H-indene is CC(Br)CC1=CCc2ccccc21.
What is the InChIKey of 3-(2-bromopropyl)-1H-indene?
The InChIKey is LXLXZYGFKCSFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br/c1-9(13)8-11-7-6-10-4-2-3-5-12(10)11/h2-5,7,9H,6,8H2,1H3.
What are the key properties of 3-(2-bromopropyl)-1H-indene?
3-(2-bromopropyl)-1H-indene has a molecular weight of 237.14 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromopropyl)-1H-indene is sourced from PubChem (CID 23559641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).