5-bromo-2,3,4-trimethyl-1H-indene

C12H13Br — CID 173231939

IUPAC5-bromo-2,3,4-trimethyl-1H-indene
SMILESCC1=C(C)c2c(ccc(Br)c2C)C1
InChIInChI=1S/C12H13Br/c1-7-6-10-4-5-11(13)9(3)12(10)8(7)2/h4-5H,6H2,1-3H3
InChIKeyQYTMKWPIGJQKLV-UHFFFAOYSA-N
MW237.14 g/mol
LogP4.11
Rot. Bonds

About 5-bromo-2,3,4-trimethyl-1H-indene

5-bromo-2,3,4-trimethyl-1H-indene (PubChem CID 173231939) has the molecular formula C12H13Br and a molecular weight of 237.14 g/mol. Its IUPAC name is 5-bromo-2,3,4-trimethyl-1H-indene.

Molecular Properties

Compound Name5-bromo-2,3,4-trimethyl-1H-indene
PubChem CID173231939
Molecular FormulaC12H13Br
Molecular Weight237.14 g/mol
Exact Mass236.02
IUPAC Name5-bromo-2,3,4-trimethyl-1H-indene
SMILESCC1=C(C)c2c(ccc(Br)c2C)C1
InChIInChI=1S/C12H13Br/c1-7-6-10-4-5-11(13)9(3)12(10)8(7)2/h4-5H,6H2,1-3H3
InChIKeyQYTMKWPIGJQKLV-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.14
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,3,4-trimethyl-1H-indene?
The IUPAC name of 5-bromo-2,3,4-trimethyl-1H-indene (CID 173231939) is 5-bromo-2,3,4-trimethyl-1H-indene.
What is the SMILES notation for 5-bromo-2,3,4-trimethyl-1H-indene?
The canonical SMILES for 5-bromo-2,3,4-trimethyl-1H-indene is CC1=C(C)c2c(ccc(Br)c2C)C1.
What is the InChIKey of 5-bromo-2,3,4-trimethyl-1H-indene?
The InChIKey is QYTMKWPIGJQKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br/c1-7-6-10-4-5-11(13)9(3)12(10)8(7)2/h4-5H,6H2,1-3H3.
What are the key properties of 5-bromo-2,3,4-trimethyl-1H-indene?
5-bromo-2,3,4-trimethyl-1H-indene has a molecular weight of 237.14 g/mol, XLogP of 4.11, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,3,4-trimethyl-1H-indene is sourced from PubChem (CID 173231939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).