4-bromo-2,3-dihydro-1H-inden-1-ol

C9H9BrO — CID 13330208

IUPAC4-bromo-2,3-dihydro-1H-inden-1-ol
SMILESOC1CCc2c(Br)cccc21
InChIInChI=1S/C9H9BrO/c10-8-3-1-2-7-6(8)4-5-9(7)11/h1-3,9,11H,4-5H2
InChIKeyRNXQQZNOSYBFTN-UHFFFAOYSA-N
MW213.07 g/mol
LogP2.43
Rot. Bonds

About 4-bromo-2,3-dihydro-1H-inden-1-ol

4-bromo-2,3-dihydro-1H-inden-1-ol (PubChem CID 13330208) has the molecular formula C9H9BrO and a molecular weight of 213.07 g/mol. Its IUPAC name is 4-bromo-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name4-bromo-2,3-dihydro-1H-inden-1-ol
PubChem CID13330208
Molecular FormulaC9H9BrO
Molecular Weight213.07 g/mol
Exact Mass211.98
IUPAC Name4-bromo-2,3-dihydro-1H-inden-1-ol
SMILESOC1CCc2c(Br)cccc21
InChIInChI=1S/C9H9BrO/c10-8-3-1-2-7-6(8)4-5-9(7)11/h1-3,9,11H,4-5H2
InChIKeyRNXQQZNOSYBFTN-UHFFFAOYSA-N
XLogP2.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.07
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 4-bromo-2,3-dihydro-1H-inden-1-ol (CID 13330208) is 4-bromo-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 4-bromo-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 4-bromo-2,3-dihydro-1H-inden-1-ol is OC1CCc2c(Br)cccc21.
What is the InChIKey of 4-bromo-2,3-dihydro-1H-inden-1-ol?
The InChIKey is RNXQQZNOSYBFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO/c10-8-3-1-2-7-6(8)4-5-9(7)11/h1-3,9,11H,4-5H2.
What are the key properties of 4-bromo-2,3-dihydro-1H-inden-1-ol?
4-bromo-2,3-dihydro-1H-inden-1-ol has a molecular weight of 213.07 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 13330208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).