1-bromo-4-chloro-3,3,6,7-tetramethyl-1,2-dihydroindene

C13H16BrCl — CID 115485019

IUPAC1-bromo-4-chloro-3,3,6,7-tetramethyl-1,2-dihydroindene
SMILESCc1cc(Cl)c2c(c1C)C(Br)CC2(C)C
InChIInChI=1S/C13H16BrCl/c1-7-5-10(15)12-11(8(7)2)9(14)6-13(12,3)4/h5,9H,6H2,1-4H3
InChIKeyNRTZQFPIPPPZQJ-UHFFFAOYSA-N
MW287.63 g/mol
LogP5.07
Rot. Bonds

About 1-bromo-4-chloro-3,3,6,7-tetramethyl-1,2-dihydroindene

1-bromo-4-chloro-3,3,6,7-tetramethyl-1,2-dihydroindene (PubChem CID 115485019) has the molecular formula C13H16BrCl and a molecular weight of 287.63 g/mol. Its IUPAC name is 1-bromo-4-chloro-3,3,6,7-tetramethyl-1,2-dihydroindene.

Molecular Properties

Compound Name1-bromo-4-chloro-3,3,6,7-tetramethyl-1,2-dihydroindene
PubChem CID115485019
Molecular FormulaC13H16BrCl
Molecular Weight287.63 g/mol
Exact Mass286.01
IUPAC Name1-bromo-4-chloro-3,3,6,7-tetramethyl-1,2-dihydroindene
SMILESCc1cc(Cl)c2c(c1C)C(Br)CC2(C)C
InChIInChI=1S/C13H16BrCl/c1-7-5-10(15)12-11(8(7)2)9(14)6-13(12,3)4/h5,9H,6H2,1-4H3
InChIKeyNRTZQFPIPPPZQJ-UHFFFAOYSA-N
XLogP5.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.63
LogP ≤ 55.07
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

(1S)-4-chloro-3,3,6,7-tetramethyl-1,2-dihydroinden-1-amine
CID 115484990
1-bromo-4,6-difluoro-3,3,7-trimethyl-1,2-dihydroindene
CID 79838360
(1S)-6-chloro-3,3,4,7-tetramethyl-1,2-dihydroinden-1-amine
CID 79838335
6-chloro-3,3,4,7-tetramethyl-1,2-dihydroinden-1-amine
CID 79838334
(1S)-4-chloro-6-fluoro-3,3,7-trimethyl-1,2-dihydroinden-1-amine
CID 81050362
3-bromo-5-chloro-1,1-dimethyl-2,3-dihydrocyclopenta[a]naphthalene
CID 79838159
1-bromo-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroindene
CID 79837496
(1R)-4,6-dichloro-3,3-dimethyl-1,2-dihydroinden-1-ol
CID 79837769
6-chloro-N,7,7-trimethyl-2,3,8,9-tetrahydrocyclopenta[h][1,4]benzodioxin-9-amine
CID 79838512
1-chloro-6-fluoro-3,3,4,7-tetramethyl-1,2-dihydroindene
CID 131048394
(5R)-1-chloro-3,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 115484988
1,7-dibromo-4-methoxy-3,3-dimethyl-1,2-dihydroindene
CID 79837869

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-chloro-3,3,6,7-tetramethyl-1,2-dihydroindene?
The IUPAC name of 1-bromo-4-chloro-3,3,6,7-tetramethyl-1,2-dihydroindene (CID 115485019) is 1-bromo-4-chloro-3,3,6,7-tetramethyl-1,2-dihydroindene.
What is the SMILES notation for 1-bromo-4-chloro-3,3,6,7-tetramethyl-1,2-dihydroindene?
The canonical SMILES for 1-bromo-4-chloro-3,3,6,7-tetramethyl-1,2-dihydroindene is Cc1cc(Cl)c2c(c1C)C(Br)CC2(C)C.
What is the InChIKey of 1-bromo-4-chloro-3,3,6,7-tetramethyl-1,2-dihydroindene?
The InChIKey is NRTZQFPIPPPZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrCl/c1-7-5-10(15)12-11(8(7)2)9(14)6-13(12,3)4/h5,9H,6H2,1-4H3.
What are the key properties of 1-bromo-4-chloro-3,3,6,7-tetramethyl-1,2-dihydroindene?
1-bromo-4-chloro-3,3,6,7-tetramethyl-1,2-dihydroindene has a molecular weight of 287.63 g/mol, XLogP of 5.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-chloro-3,3,6,7-tetramethyl-1,2-dihydroindene is sourced from PubChem (CID 115485019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).