2,5-dibromo-2,3-dihydro-1H-inden-1-ol

C9H8Br2O — CID 13486300

IUPAC2,5-dibromo-2,3-dihydro-1H-inden-1-ol
SMILESOC1c2ccc(Br)cc2CC1Br
InChIInChI=1S/C9H8Br2O/c10-6-1-2-7-5(3-6)4-8(11)9(7)12/h1-3,8-9,12H,4H2
InChIKeyNNJMNAWTVWGWNT-UHFFFAOYSA-N
MW291.97 g/mol
LogP2.80
Rot. Bonds

About 2,5-dibromo-2,3-dihydro-1H-inden-1-ol

2,5-dibromo-2,3-dihydro-1H-inden-1-ol (PubChem CID 13486300) has the molecular formula C9H8Br2O and a molecular weight of 291.97 g/mol. Its IUPAC name is 2,5-dibromo-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name2,5-dibromo-2,3-dihydro-1H-inden-1-ol
PubChem CID13486300
Molecular FormulaC9H8Br2O
Molecular Weight291.97 g/mol
Exact Mass289.89
IUPAC Name2,5-dibromo-2,3-dihydro-1H-inden-1-ol
SMILESOC1c2ccc(Br)cc2CC1Br
InChIInChI=1S/C9H8Br2O/c10-6-1-2-7-5(3-6)4-8(11)9(7)12/h1-3,8-9,12H,4H2
InChIKeyNNJMNAWTVWGWNT-UHFFFAOYSA-N
XLogP2.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.97
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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
4-Bromo-1-indanol
CID 13330208
2-Bromo-1-indanol
CID 95444
(5-Bromo-2-(hydroxymethyl)phenyl)methanol
CID 10798791
(1S)-5-bromo-2,3-dihydro-1H-inden-1-ol
CID 29414737
(4-Bromo-2-methylphenyl)methanol
CID 22280088
(1R)-5-bromo-2,3-dihydro-1H-inden-1-ol
CID 29414734
(1R)-4-bromo-2,3-dihydro-1H-inden-1-ol
CID 51915875
5-Bromo-2,3-dihydro-1-(1-methylethoxy)-1H-indene
CID 47002601
(5-Bromo-2-methylphenyl)methanol
CID 12993770

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 2,5-dibromo-2,3-dihydro-1H-inden-1-ol (CID 13486300) is 2,5-dibromo-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 2,5-dibromo-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 2,5-dibromo-2,3-dihydro-1H-inden-1-ol is OC1c2ccc(Br)cc2CC1Br.
What is the InChIKey of 2,5-dibromo-2,3-dihydro-1H-inden-1-ol?
The InChIKey is NNJMNAWTVWGWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2O/c10-6-1-2-7-5(3-6)4-8(11)9(7)12/h1-3,8-9,12H,4H2.
What are the key properties of 2,5-dibromo-2,3-dihydro-1H-inden-1-ol?
2,5-dibromo-2,3-dihydro-1H-inden-1-ol has a molecular weight of 291.97 g/mol, XLogP of 2.80, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 13486300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).