(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

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Related Compounds

1-Indanol
CID 22819
(1S)-2,3-dihydro-1H-inden-1-ol
CID 6971242
1-(2-Bromophenyl)ethanol
CID 95455
1-(3-Bromophenyl)ethanol
CID 98479
(1R)-2,3-dihydro-1H-inden-1-ol
CID 6971243
rac-(1R,2S)-2-bromo-2,3-dihydro-1H-inden-1-ol
CID 820606
(1R,2R)-2-bromo-2,3-dihydro-1H-inden-1-ol
CID 820607
(1S,2S)-2-Bromo-2,3-dihydro-1H-inden-1-ol
CID 820608
(R)-1-(2-bromophenyl)ethanol
CID 2734868
(1R)-1-(3-bromophenyl)ethan-1-ol
CID 2734889
1-(2-Bromophenyl)ethan-1-ol
CID 6950331
(1S)-1-(3-bromophenyl)ethan-1-ol
CID 6951261

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).