5-bromo-1,7-dimethyl-2,3-dihydro-1H-indene

C11H13Br — CID 166534603

IUPAC5-bromo-1,7-dimethyl-2,3-dihydro-1H-indene
SMILESCc1cc(Br)cc2c1C(C)CC2
InChIInChI=1S/C11H13Br/c1-7-3-4-9-6-10(12)5-8(2)11(7)9/h5-7H,3-4H2,1-2H3
InChIKeyBAHRCCPEQZWQCF-UHFFFAOYSA-N
MW225.13 g/mol
LogP3.81
Rot. Bonds

About 5-bromo-1,7-dimethyl-2,3-dihydro-1H-indene

5-bromo-1,7-dimethyl-2,3-dihydro-1H-indene (PubChem CID 166534603) has the molecular formula C11H13Br and a molecular weight of 225.13 g/mol. Its IUPAC name is 5-bromo-1,7-dimethyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-bromo-1,7-dimethyl-2,3-dihydro-1H-indene
PubChem CID166534603
Molecular FormulaC11H13Br
Molecular Weight225.13 g/mol
Exact Mass224.02
IUPAC Name5-bromo-1,7-dimethyl-2,3-dihydro-1H-indene
SMILESCc1cc(Br)cc2c1C(C)CC2
InChIInChI=1S/C11H13Br/c1-7-3-4-9-6-10(12)5-8(2)11(7)9/h5-7H,3-4H2,1-2H3
InChIKeyBAHRCCPEQZWQCF-UHFFFAOYSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.13
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1,5,7-trimethyl-2,3-dihydro-1H-indene
CID 166534855
(2R)-6-bromo-2,8-dimethyl-1,2,3,4-tetrahydroquinoline
CID 125183689
5-ethyl-1,6,7-trimethyl-2,3-dihydro-1H-indene
CID 170736432
5-bromo-3-methyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
CID 90076893
CID 171839539
CID 171839539
5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,7-dimethyl-2,3-dihydro-1H-indene
CID 158116579
5-bromo-7-chloro-2,3-dihydro-1H-inden-1-ol
CID 155906276
7-chloro-4,5,8-trimethyl-3,4-dihydro-2H-naphthalen-1-one
CID 115417433
4-ethyl-1,5,7-trimethyl-2,3-dihydro-1H-indene
CID 171537068
N-[5-[(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]pentyl]-2-methylpropane-2-sulfonamide
CID 70939258
5,7-dimethyl-2,3-dihydro-1H-inden-1-ol
CID 22463171
1,6-dimethyl-2,3-dihydro-1H-inden-5-ol
CID 71371609

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,7-dimethyl-2,3-dihydro-1H-indene?
The IUPAC name of 5-bromo-1,7-dimethyl-2,3-dihydro-1H-indene (CID 166534603) is 5-bromo-1,7-dimethyl-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-bromo-1,7-dimethyl-2,3-dihydro-1H-indene?
The canonical SMILES for 5-bromo-1,7-dimethyl-2,3-dihydro-1H-indene is Cc1cc(Br)cc2c1C(C)CC2.
What is the InChIKey of 5-bromo-1,7-dimethyl-2,3-dihydro-1H-indene?
The InChIKey is BAHRCCPEQZWQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br/c1-7-3-4-9-6-10(12)5-8(2)11(7)9/h5-7H,3-4H2,1-2H3.
What are the key properties of 5-bromo-1,7-dimethyl-2,3-dihydro-1H-indene?
5-bromo-1,7-dimethyl-2,3-dihydro-1H-indene has a molecular weight of 225.13 g/mol, XLogP of 3.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,7-dimethyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 166534603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).