6-bromo-1H-inden-1-ol

C9H7BrO — CID 85344682

IUPAC6-bromo-1H-inden-1-ol
SMILESOC1C=Cc2ccc(Br)cc21
InChIInChI=1S/C9H7BrO/c10-7-3-1-6-2-4-9(11)8(6)5-7/h1-5,9,11H
InChIKeyZVSRUZBAXIWHRG-UHFFFAOYSA-N
MW211.06 g/mol
LogP2.51
Rot. Bonds

About 6-bromo-1H-inden-1-ol

6-bromo-1H-inden-1-ol (PubChem CID 85344682) has the molecular formula C9H7BrO and a molecular weight of 211.06 g/mol. Its IUPAC name is 6-bromo-1H-inden-1-ol.

Molecular Properties

Compound Name6-bromo-1H-inden-1-ol
PubChem CID85344682
Molecular FormulaC9H7BrO
Molecular Weight211.06 g/mol
Exact Mass209.97
IUPAC Name6-bromo-1H-inden-1-ol
SMILESOC1C=Cc2ccc(Br)cc21
InChIInChI=1S/C9H7BrO/c10-7-3-1-6-2-4-9(11)8(6)5-7/h1-5,9,11H
InChIKeyZVSRUZBAXIWHRG-UHFFFAOYSA-N
XLogP2.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.06
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-amino-2-[(1R)-6-bromo-1H-inden-1-yl]acetic acid
CID 175151397
(3S)-5-bromo-3-hydroxy-2,3-dihydroisoindol-1-one
CID 86314575
(2S)-2-[(1S)-6-bromo-1H-inden-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 175153212
(1S,2R)-6-bromo-2,3-dihydro-1H-indene-1,2-diol
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(1S)-4-bromo-1H-inden-1-ol
CID 175495734
(1R,2R)-1-amino-7-bromo-1,2,3,4-tetrahydronaphthalen-2-ol
CID 67280135
(10Z)-7-bromotricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,10,12,14-heptaen-2-ol
CID 102268825
4-amino-6-bromo-3,4-dihydro-2H-thiochromen-3-ol
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3-(6-hydroxy-1H-inden-1-yl)-3H-inden-5-ol
CID 140511722
(3S)-5-bromo-3-hydroxy-1,3-dihydroindol-2-one
CID 714172
5-bromo-2-methylidene-3H-1-benzofuran-3-ol
CID 139256754
3-(5-bromo-2-fluorophenyl)-2-methylcyclopentan-1-ol
CID 79740139

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1H-inden-1-ol?
The IUPAC name of 6-bromo-1H-inden-1-ol (CID 85344682) is 6-bromo-1H-inden-1-ol.
What is the SMILES notation for 6-bromo-1H-inden-1-ol?
The canonical SMILES for 6-bromo-1H-inden-1-ol is OC1C=Cc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-1H-inden-1-ol?
The InChIKey is ZVSRUZBAXIWHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrO/c10-7-3-1-6-2-4-9(11)8(6)5-7/h1-5,9,11H.
What are the key properties of 6-bromo-1H-inden-1-ol?
6-bromo-1H-inden-1-ol has a molecular weight of 211.06 g/mol, XLogP of 2.51, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1H-inden-1-ol is sourced from PubChem (CID 85344682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).