6-bromo-1-chloro-2-methyl-2,3-dihydro-1H-indene

C10H10BrCl — CID 79725428

IUPAC6-bromo-1-chloro-2-methyl-2,3-dihydro-1H-indene
SMILESCC1Cc2ccc(Br)cc2C1Cl
InChIInChI=1S/C10H10BrCl/c1-6-4-7-2-3-8(11)5-9(7)10(6)12/h2-3,5-6,10H,4H2,1H3
InChIKeySCQIUZWERKZVEL-UHFFFAOYSA-N
MW245.55 g/mol
LogP3.92
Rot. Bonds

About 6-bromo-1-chloro-2-methyl-2,3-dihydro-1H-indene

6-bromo-1-chloro-2-methyl-2,3-dihydro-1H-indene (PubChem CID 79725428) has the molecular formula C10H10BrCl and a molecular weight of 245.55 g/mol. Its IUPAC name is 6-bromo-1-chloro-2-methyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name6-bromo-1-chloro-2-methyl-2,3-dihydro-1H-indene
PubChem CID79725428
Molecular FormulaC10H10BrCl
Molecular Weight245.55 g/mol
Exact Mass243.97
IUPAC Name6-bromo-1-chloro-2-methyl-2,3-dihydro-1H-indene
SMILESCC1Cc2ccc(Br)cc2C1Cl
InChIInChI=1S/C10H10BrCl/c1-6-4-7-2-3-8(11)5-9(7)10(6)12/h2-3,5-6,10H,4H2,1H3
InChIKeySCQIUZWERKZVEL-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.55
LogP ≤ 53.92
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

6-bromo-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene
CID 162045632
(2S,3S)-6-bromo-3-methyl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 147048026
(1S,2R)-6-bromo-2,3-dihydro-1H-indene-1,2-diol
CID 101243117
1-chloro-7-methoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene
CID 79725548
6-bromo-2,3-dihydro-1H-inden-1-amine;methanamine
CID 174570808
6-bromo-4-methyl-2,4-dihydro-1H-isoquinolin-3-one
CID 58296529
(8R,10R)-5,13-dibromo-8,10-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
CID 163273815
8-bromo-2-chloro-4-methyl-3-phenyl-4,5-dihydro-3H-1-benzazepine
CID 126659290
(2R)-6-bromo-2-methyl-2,3-dihydroinden-1-one
CID 86316397
1-(6-chloro-2-methyl-2,3-dihydro-1H-inden-1-yl)ethanamine
CID 112716442
7-bromo-5-methyl-1,2,3,5-tetrahydro-3-benzazepin-4-one
CID 86041696
4-bromo-17-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaene
CID 15650258

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-chloro-2-methyl-2,3-dihydro-1H-indene?
The IUPAC name of 6-bromo-1-chloro-2-methyl-2,3-dihydro-1H-indene (CID 79725428) is 6-bromo-1-chloro-2-methyl-2,3-dihydro-1H-indene.
What is the SMILES notation for 6-bromo-1-chloro-2-methyl-2,3-dihydro-1H-indene?
The canonical SMILES for 6-bromo-1-chloro-2-methyl-2,3-dihydro-1H-indene is CC1Cc2ccc(Br)cc2C1Cl.
What is the InChIKey of 6-bromo-1-chloro-2-methyl-2,3-dihydro-1H-indene?
The InChIKey is SCQIUZWERKZVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrCl/c1-6-4-7-2-3-8(11)5-9(7)10(6)12/h2-3,5-6,10H,4H2,1H3.
What are the key properties of 6-bromo-1-chloro-2-methyl-2,3-dihydro-1H-indene?
6-bromo-1-chloro-2-methyl-2,3-dihydro-1H-indene has a molecular weight of 245.55 g/mol, XLogP of 3.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-chloro-2-methyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 79725428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).