(1S)-7-bromo-2,3-dihydro-1H-inden-1-ol

C9H9BrO — CID 129246818

IUPAC(1S)-7-bromo-2,3-dihydro-1H-inden-1-ol
SMILESO[C@H]1CCc2cccc(Br)c21
InChIInChI=1S/C9H9BrO/c10-7-3-1-2-6-4-5-8(11)9(6)7/h1-3,8,11H,4-5H2/t8-/m0/s1
InChIKeyBDANRHYZJFBCQQ-QMMMGPOBSA-N
MW213.07 g/mol
LogP2.43
Rot. Bonds

About (1S)-7-bromo-2,3-dihydro-1H-inden-1-ol

(1S)-7-bromo-2,3-dihydro-1H-inden-1-ol (PubChem CID 129246818) has the molecular formula C9H9BrO and a molecular weight of 213.07 g/mol. Its IUPAC name is (1S)-7-bromo-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1S)-7-bromo-2,3-dihydro-1H-inden-1-ol
PubChem CID129246818
Molecular FormulaC9H9BrO
Molecular Weight213.07 g/mol
Exact Mass211.98
IUPAC Name(1S)-7-bromo-2,3-dihydro-1H-inden-1-ol
SMILESO[C@H]1CCc2cccc(Br)c21
InChIInChI=1S/C9H9BrO/c10-7-3-1-2-6-4-5-8(11)9(6)7/h1-3,8,11H,4-5H2/t8-/m0/s1
InChIKeyBDANRHYZJFBCQQ-QMMMGPOBSA-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

Analyze (1S)-7-bromo-2,3-dihydro-1H-inden-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(hydroxymethyl)-2,3-dihydro-1H-inden-1-ol
CID 15329434
(5S,6R)-6-amino-4-bromo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 51600913
2-(7-bromo-2,3-dihydro-1H-inden-1-yl)ethanamine
CID 83843148
(1R)-8-bromo-1,2,3,4-tetrahydronaphthalen-1-amine
CID 86328574
7-bromo-5-fluoro-2,3-dihydro-1H-inden-1-ol
CID 171613740
4-bromo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 130067141
(3-hydroxy-2,3-dihydro-1H-inden-4-yl) acetate
CID 19864735
(1S)-7-(methoxymethoxy)-2,3-dihydro-1H-inden-1-ol
CID 130651927
7-propoxy-2,3-dihydro-1H-inden-1-ol
CID 126991757
8-bromo-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-ol
CID 115010739
tris(2,3-dihydro-1H-inden-1-ol);ethane
CID 19770523
8-methyl-5,6,7,8-tetrahydronaphthalene-1,7-diol
CID 115010745

Frequently Asked Questions

What is the IUPAC name of (1S)-7-bromo-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1S)-7-bromo-2,3-dihydro-1H-inden-1-ol (CID 129246818) is (1S)-7-bromo-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1S)-7-bromo-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1S)-7-bromo-2,3-dihydro-1H-inden-1-ol is O[C@H]1CCc2cccc(Br)c21.
What is the InChIKey of (1S)-7-bromo-2,3-dihydro-1H-inden-1-ol?
The InChIKey is BDANRHYZJFBCQQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H9BrO/c10-7-3-1-2-6-4-5-8(11)9(6)7/h1-3,8,11H,4-5H2/t8-/m0/s1.
What are the key properties of (1S)-7-bromo-2,3-dihydro-1H-inden-1-ol?
(1S)-7-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 (1S)-7-bromo-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 129246818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).