(1R)-4-bromo-1,2,2-trimethyl-1,3-dihydroindene

C12H15Br — CID 125499315

IUPAC(1R)-4-bromo-1,2,2-trimethyl-1,3-dihydroindene
SMILESC[C@H]1c2cccc(Br)c2CC1(C)C
InChIInChI=1S/C12H15Br/c1-8-9-5-4-6-11(13)10(9)7-12(8,2)3/h4-6,8H,7H2,1-3H3/t8-/m0/s1
InChIKeyKVLXRFKDMZOMPU-QMMMGPOBSA-N
MW239.16 g/mol
LogP4.13
Rot. Bonds

About (1R)-4-bromo-1,2,2-trimethyl-1,3-dihydroindene

(1R)-4-bromo-1,2,2-trimethyl-1,3-dihydroindene (PubChem CID 125499315) has the molecular formula C12H15Br and a molecular weight of 239.16 g/mol. Its IUPAC name is (1R)-4-bromo-1,2,2-trimethyl-1,3-dihydroindene.

Molecular Properties

Compound Name(1R)-4-bromo-1,2,2-trimethyl-1,3-dihydroindene
PubChem CID125499315
Molecular FormulaC12H15Br
Molecular Weight239.16 g/mol
Exact Mass238.04
IUPAC Name(1R)-4-bromo-1,2,2-trimethyl-1,3-dihydroindene
SMILESC[C@H]1c2cccc(Br)c2CC1(C)C
InChIInChI=1S/C12H15Br/c1-8-9-5-4-6-11(13)10(9)7-12(8,2)3/h4-6,8H,7H2,1-3H3/t8-/m0/s1
InChIKeyKVLXRFKDMZOMPU-QMMMGPOBSA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.16
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1R)-4-bromo-1,2,2-trimethyl-1,3-dihydroindene?
The IUPAC name of (1R)-4-bromo-1,2,2-trimethyl-1,3-dihydroindene (CID 125499315) is (1R)-4-bromo-1,2,2-trimethyl-1,3-dihydroindene.
What is the SMILES notation for (1R)-4-bromo-1,2,2-trimethyl-1,3-dihydroindene?
The canonical SMILES for (1R)-4-bromo-1,2,2-trimethyl-1,3-dihydroindene is C[C@H]1c2cccc(Br)c2CC1(C)C.
What is the InChIKey of (1R)-4-bromo-1,2,2-trimethyl-1,3-dihydroindene?
The InChIKey is KVLXRFKDMZOMPU-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15Br/c1-8-9-5-4-6-11(13)10(9)7-12(8,2)3/h4-6,8H,7H2,1-3H3/t8-/m0/s1.
What are the key properties of (1R)-4-bromo-1,2,2-trimethyl-1,3-dihydroindene?
(1R)-4-bromo-1,2,2-trimethyl-1,3-dihydroindene has a molecular weight of 239.16 g/mol, XLogP of 4.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-bromo-1,2,2-trimethyl-1,3-dihydroindene is sourced from PubChem (CID 125499315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).