2-[2-(4-bromophenoxy)ethyl]-1-chloro-2,3-dihydro-1H-indene

C17H16BrClO — CID 63459323

IUPAC2-[2-(4-bromophenoxy)ethyl]-1-chloro-2,3-dihydro-1H-indene
SMILESClC1c2ccccc2CC1CCOc1ccc(Br)cc1
InChIInChI=1S/C17H16BrClO/c18-14-5-7-15(8-6-14)20-10-9-13-11-12-3-1-2-4-16(12)17(13)19/h1-8,13,17H,9-11H2
InChIKeyROHNQPKUTVAKAW-UHFFFAOYSA-N
MW351.67 g/mol
LogP5.37
Rot. Bonds4

About 2-[2-(4-bromophenoxy)ethyl]-1-chloro-2,3-dihydro-1H-indene

2-[2-(4-bromophenoxy)ethyl]-1-chloro-2,3-dihydro-1H-indene (PubChem CID 63459323) has the molecular formula C17H16BrClO and a molecular weight of 351.67 g/mol. Its IUPAC name is 2-[2-(4-bromophenoxy)ethyl]-1-chloro-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name2-[2-(4-bromophenoxy)ethyl]-1-chloro-2,3-dihydro-1H-indene
PubChem CID63459323
Molecular FormulaC17H16BrClO
Molecular Weight351.67 g/mol
Exact Mass350.01
IUPAC Name2-[2-(4-bromophenoxy)ethyl]-1-chloro-2,3-dihydro-1H-indene
SMILESClC1c2ccccc2CC1CCOc1ccc(Br)cc1
InChIInChI=1S/C17H16BrClO/c18-14-5-7-15(8-6-14)20-10-9-13-11-12-3-1-2-4-16(12)17(13)19/h1-8,13,17H,9-11H2
InChIKeyROHNQPKUTVAKAW-UHFFFAOYSA-N
XLogP5.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.67
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,3-dihydro-1H-indene
CID 104565875
1-chloro-2-decyl-2,3-dihydro-1H-indene
CID 63460402
1-bromo-4-[2-(2-chloro-5-propan-2-ylcyclohexyl)ethoxy]benzene
CID 63472442
2-[(4-bromo-2-nitrophenyl)methyl]-1-chloro-2,3-dihydro-1H-indene
CID 114382434
N-[2-(4-bromophenoxy)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63492101
3-[2-(4-bromophenoxy)ethyl]oxan-4-amine
CID 106468983
4-[2-(4-bromophenoxy)ethyl]piperidine
CID 56830278
7-[bromo-(5-bromo-2-ethoxyphenyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene
CID 66395777
1-[2-(4-bromophenoxy)ethyl]-3-methyl-3,4-dihydro-2H-quinoline
CID 63458022
2-[2-(4-bromophenoxy)ethyl]-4-ethylcyclohexan-1-amine
CID 63403440
3-chloro-4-(2-phenoxyethyl)thiolane
CID 83191550
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-propoxyphenyl)methanamine
CID 64984292

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenoxy)ethyl]-1-chloro-2,3-dihydro-1H-indene?
The IUPAC name of 2-[2-(4-bromophenoxy)ethyl]-1-chloro-2,3-dihydro-1H-indene (CID 63459323) is 2-[2-(4-bromophenoxy)ethyl]-1-chloro-2,3-dihydro-1H-indene.
What is the SMILES notation for 2-[2-(4-bromophenoxy)ethyl]-1-chloro-2,3-dihydro-1H-indene?
The canonical SMILES for 2-[2-(4-bromophenoxy)ethyl]-1-chloro-2,3-dihydro-1H-indene is ClC1c2ccccc2CC1CCOc1ccc(Br)cc1.
What is the InChIKey of 2-[2-(4-bromophenoxy)ethyl]-1-chloro-2,3-dihydro-1H-indene?
The InChIKey is ROHNQPKUTVAKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClO/c18-14-5-7-15(8-6-14)20-10-9-13-11-12-3-1-2-4-16(12)17(13)19/h1-8,13,17H,9-11H2.
What are the key properties of 2-[2-(4-bromophenoxy)ethyl]-1-chloro-2,3-dihydro-1H-indene?
2-[2-(4-bromophenoxy)ethyl]-1-chloro-2,3-dihydro-1H-indene has a molecular weight of 351.67 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenoxy)ethyl]-1-chloro-2,3-dihydro-1H-indene is sourced from PubChem (CID 63459323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).