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

C16H13BrCl2 — CID 63440400

IUPAC5-[bromo-(2,3-dichlorophenyl)methyl]-2,3-dihydro-1H-indene
SMILESClc1cccc(C(Br)c2ccc3c(c2)CCC3)c1Cl
InChIInChI=1S/C16H13BrCl2/c17-15(13-5-2-6-14(18)16(13)19)12-8-7-10-3-1-4-11(10)9-12/h2,5-9,15H,1,3-4H2
InChIKeyAGWQJOPAKNDNAK-UHFFFAOYSA-N
MW356.09 g/mol
LogP5.97
Rot. Bonds2

About 5-[bromo-(2,3-dichlorophenyl)methyl]-2,3-dihydro-1H-indene

5-[bromo-(2,3-dichlorophenyl)methyl]-2,3-dihydro-1H-indene (PubChem CID 63440400) has the molecular formula C16H13BrCl2 and a molecular weight of 356.09 g/mol. Its IUPAC name is 5-[bromo-(2,3-dichlorophenyl)methyl]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-[bromo-(2,3-dichlorophenyl)methyl]-2,3-dihydro-1H-indene
PubChem CID63440400
Molecular FormulaC16H13BrCl2
Molecular Weight356.09 g/mol
Exact Mass353.96
IUPAC Name5-[bromo-(2,3-dichlorophenyl)methyl]-2,3-dihydro-1H-indene
SMILESClc1cccc(C(Br)c2ccc3c(c2)CCC3)c1Cl
InChIInChI=1S/C16H13BrCl2/c17-15(13-5-2-6-14(18)16(13)19)12-8-7-10-3-1-4-11(10)9-12/h2,5-9,15H,1,3-4H2
InChIKeyAGWQJOPAKNDNAK-UHFFFAOYSA-N
XLogP5.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.09
LogP ≤ 55.97
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

5-[bromo-(2,5-dichlorophenyl)methyl]-2,3-dihydro-1H-indene
CID 63440957
5-[bromo-(2,3-difluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 55198009
6-[bromo-(2-chloro-6-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63439442
7-[bromo-(2,3-dichlorophenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine
CID 63437711
5-[bromo-(3-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 63440661
6-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 107991592
5-[bromo-(4-bromophenyl)methyl]-2,3-dihydro-1H-indene
CID 63439245
1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2,3-dichlorobenzene
CID 63439370
6-[bromo-(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63439446
2-[bromo(2,3-dihydro-1H-inden-5-yl)methyl]naphthalene
CID 63440446
5-[bromo-(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 63437148
6-[chloro-(2,6-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63431220

Frequently Asked Questions

What is the IUPAC name of 5-[bromo-(2,3-dichlorophenyl)methyl]-2,3-dihydro-1H-indene?
The IUPAC name of 5-[bromo-(2,3-dichlorophenyl)methyl]-2,3-dihydro-1H-indene (CID 63440400) is 5-[bromo-(2,3-dichlorophenyl)methyl]-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-[bromo-(2,3-dichlorophenyl)methyl]-2,3-dihydro-1H-indene?
The canonical SMILES for 5-[bromo-(2,3-dichlorophenyl)methyl]-2,3-dihydro-1H-indene is Clc1cccc(C(Br)c2ccc3c(c2)CCC3)c1Cl.
What is the InChIKey of 5-[bromo-(2,3-dichlorophenyl)methyl]-2,3-dihydro-1H-indene?
The InChIKey is AGWQJOPAKNDNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrCl2/c17-15(13-5-2-6-14(18)16(13)19)12-8-7-10-3-1-4-11(10)9-12/h2,5-9,15H,1,3-4H2.
What are the key properties of 5-[bromo-(2,3-dichlorophenyl)methyl]-2,3-dihydro-1H-indene?
5-[bromo-(2,3-dichlorophenyl)methyl]-2,3-dihydro-1H-indene has a molecular weight of 356.09 g/mol, XLogP of 5.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bromo-(2,3-dichlorophenyl)methyl]-2,3-dihydro-1H-indene is sourced from PubChem (CID 63440400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).