5-[(4-bromophenyl)-chloromethyl]-2,3-dihydro-1H-indene

C16H14BrCl — CID 63429122

IUPAC5-[(4-bromophenyl)-chloromethyl]-2,3-dihydro-1H-indene
SMILESClC(c1ccc(Br)cc1)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H14BrCl/c17-15-8-6-12(7-9-15)16(18)14-5-4-11-2-1-3-13(11)10-14/h4-10,16H,1-3H2
InChIKeyAGUQMHPELQYPCC-UHFFFAOYSA-N
MW321.65 g/mol
LogP5.27
Rot. Bonds2

About 5-[(4-bromophenyl)-chloromethyl]-2,3-dihydro-1H-indene

5-[(4-bromophenyl)-chloromethyl]-2,3-dihydro-1H-indene (PubChem CID 63429122) has the molecular formula C16H14BrCl and a molecular weight of 321.65 g/mol. Its IUPAC name is 5-[(4-bromophenyl)-chloromethyl]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-[(4-bromophenyl)-chloromethyl]-2,3-dihydro-1H-indene
PubChem CID63429122
Molecular FormulaC16H14BrCl
Molecular Weight321.65 g/mol
Exact Mass320.00
IUPAC Name5-[(4-bromophenyl)-chloromethyl]-2,3-dihydro-1H-indene
SMILESClC(c1ccc(Br)cc1)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H14BrCl/c17-15-8-6-12(7-9-15)16(18)14-5-4-11-2-1-3-13(11)10-14/h4-10,16H,1-3H2
InChIKeyAGUQMHPELQYPCC-UHFFFAOYSA-N
XLogP5.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.65
LogP ≤ 55.27
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-(4-bromophenyl)methyl]-2,3-dihydro-1H-indene
CID 63439245
2-bromo-4-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]thiophene
CID 107964507
6-[chloro-(4-propan-2-ylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63431080
5-[chloro-(3,5-difluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 55198708
2-bromo-4-[chloro(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]thiophene
CID 114021592
5-[(4-bromo-2-methoxyphenyl)-chloromethyl]-2,3-dihydro-1H-indene
CID 115369816
5-[chloro-[4-(2-methylpropyl)phenyl]methyl]-2,3-dihydro-1H-indene
CID 63430886
6-[chloro-(3,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63430631
(1R)-1-(4-bromophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine
CID 81356166
5-[chloro-(3,4-diethylphenyl)methyl]-2,3-dihydro-1H-indene
CID 115482816
5-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-2,3-dihydro-1-benzofuran
CID 63430140
5-[chloro-(2,5-dibromo-4-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 81473689

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenyl)-chloromethyl]-2,3-dihydro-1H-indene?
The IUPAC name of 5-[(4-bromophenyl)-chloromethyl]-2,3-dihydro-1H-indene (CID 63429122) is 5-[(4-bromophenyl)-chloromethyl]-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-[(4-bromophenyl)-chloromethyl]-2,3-dihydro-1H-indene?
The canonical SMILES for 5-[(4-bromophenyl)-chloromethyl]-2,3-dihydro-1H-indene is ClC(c1ccc(Br)cc1)c1ccc2c(c1)CCC2.
What is the InChIKey of 5-[(4-bromophenyl)-chloromethyl]-2,3-dihydro-1H-indene?
The InChIKey is AGUQMHPELQYPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrCl/c17-15-8-6-12(7-9-15)16(18)14-5-4-11-2-1-3-13(11)10-14/h4-10,16H,1-3H2.
What are the key properties of 5-[(4-bromophenyl)-chloromethyl]-2,3-dihydro-1H-indene?
5-[(4-bromophenyl)-chloromethyl]-2,3-dihydro-1H-indene has a molecular weight of 321.65 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenyl)-chloromethyl]-2,3-dihydro-1H-indene is sourced from PubChem (CID 63429122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).