5,6-dibromo-2-(4-methylcyclohexyl)-2,3-dihydro-1H-indene

C16H20Br2 — CID 143394883

IUPAC5,6-dibromo-2-(4-methylcyclohexyl)-2,3-dihydro-1H-indene
SMILESCC1CCC(C2Cc3cc(Br)c(Br)cc3C2)CC1
InChIInChI=1S/C16H20Br2/c1-10-2-4-11(5-3-10)12-6-13-8-15(17)16(18)9-14(13)7-12/h8-12H,2-7H2,1H3
InChIKeyYKMNNSAHQYHRAZ-UHFFFAOYSA-N
MW372.14 g/mol
LogP5.75
Rot. Bonds1

About 5,6-dibromo-2-(4-methylcyclohexyl)-2,3-dihydro-1H-indene

5,6-dibromo-2-(4-methylcyclohexyl)-2,3-dihydro-1H-indene (PubChem CID 143394883) has the molecular formula C16H20Br2 and a molecular weight of 372.14 g/mol. Its IUPAC name is 5,6-dibromo-2-(4-methylcyclohexyl)-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5,6-dibromo-2-(4-methylcyclohexyl)-2,3-dihydro-1H-indene
PubChem CID143394883
Molecular FormulaC16H20Br2
Molecular Weight372.14 g/mol
Exact Mass369.99
IUPAC Name5,6-dibromo-2-(4-methylcyclohexyl)-2,3-dihydro-1H-indene
SMILESCC1CCC(C2Cc3cc(Br)c(Br)cc3C2)CC1
InChIInChI=1S/C16H20Br2/c1-10-2-4-11(5-3-10)12-6-13-8-15(17)16(18)9-14(13)7-12/h8-12H,2-7H2,1H3
InChIKeyYKMNNSAHQYHRAZ-UHFFFAOYSA-N
XLogP5.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.14
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5,6-dibromo-2-(4-methylcyclohexyl)-2,3-dihydro-1H-indene?
The IUPAC name of 5,6-dibromo-2-(4-methylcyclohexyl)-2,3-dihydro-1H-indene (CID 143394883) is 5,6-dibromo-2-(4-methylcyclohexyl)-2,3-dihydro-1H-indene.
What is the SMILES notation for 5,6-dibromo-2-(4-methylcyclohexyl)-2,3-dihydro-1H-indene?
The canonical SMILES for 5,6-dibromo-2-(4-methylcyclohexyl)-2,3-dihydro-1H-indene is CC1CCC(C2Cc3cc(Br)c(Br)cc3C2)CC1.
What is the InChIKey of 5,6-dibromo-2-(4-methylcyclohexyl)-2,3-dihydro-1H-indene?
The InChIKey is YKMNNSAHQYHRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Br2/c1-10-2-4-11(5-3-10)12-6-13-8-15(17)16(18)9-14(13)7-12/h8-12H,2-7H2,1H3.
What are the key properties of 5,6-dibromo-2-(4-methylcyclohexyl)-2,3-dihydro-1H-indene?
5,6-dibromo-2-(4-methylcyclohexyl)-2,3-dihydro-1H-indene has a molecular weight of 372.14 g/mol, XLogP of 5.75, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dibromo-2-(4-methylcyclohexyl)-2,3-dihydro-1H-indene is sourced from PubChem (CID 143394883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).