5-bromo-7-chloro-2,3-dihydro-1H-inden-1-ol

C9H8BrClO — CID 155906276

IUPAC5-bromo-7-chloro-2,3-dihydro-1H-inden-1-ol
SMILESOC1CCc2cc(Br)cc(Cl)c21
InChIInChI=1S/C9H8BrClO/c10-6-3-5-1-2-8(12)9(5)7(11)4-6/h3-4,8,12H,1-2H2
InChIKeyXACMIFORAPHJLQ-UHFFFAOYSA-N
MW247.52 g/mol
LogP3.08
Rot. Bonds

About 5-bromo-7-chloro-2,3-dihydro-1H-inden-1-ol

5-bromo-7-chloro-2,3-dihydro-1H-inden-1-ol (PubChem CID 155906276) has the molecular formula C9H8BrClO and a molecular weight of 247.52 g/mol. Its IUPAC name is 5-bromo-7-chloro-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name5-bromo-7-chloro-2,3-dihydro-1H-inden-1-ol
PubChem CID155906276
Molecular FormulaC9H8BrClO
Molecular Weight247.52 g/mol
Exact Mass245.94
IUPAC Name5-bromo-7-chloro-2,3-dihydro-1H-inden-1-ol
SMILESOC1CCc2cc(Br)cc(Cl)c21
InChIInChI=1S/C9H8BrClO/c10-6-3-5-1-2-8(12)9(5)7(11)4-6/h3-4,8,12H,1-2H2
InChIKeyXACMIFORAPHJLQ-UHFFFAOYSA-N
XLogP3.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.52
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-chloro-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 5-bromo-7-chloro-2,3-dihydro-1H-inden-1-ol (CID 155906276) is 5-bromo-7-chloro-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 5-bromo-7-chloro-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 5-bromo-7-chloro-2,3-dihydro-1H-inden-1-ol is OC1CCc2cc(Br)cc(Cl)c21.
What is the InChIKey of 5-bromo-7-chloro-2,3-dihydro-1H-inden-1-ol?
The InChIKey is XACMIFORAPHJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClO/c10-6-3-5-1-2-8(12)9(5)7(11)4-6/h3-4,8,12H,1-2H2.
What are the key properties of 5-bromo-7-chloro-2,3-dihydro-1H-inden-1-ol?
5-bromo-7-chloro-2,3-dihydro-1H-inden-1-ol has a molecular weight of 247.52 g/mol, XLogP of 3.08, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-chloro-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 155906276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).