(4-bromo-2,3-dihydro-1H-inden-1-yl)methanol

C10H11BrO — CID 105484317

IUPAC(4-bromo-2,3-dihydro-1H-inden-1-yl)methanol
SMILESOCC1CCc2c(Br)cccc21
InChIInChI=1S/C10H11BrO/c11-10-3-1-2-8-7(6-12)4-5-9(8)10/h1-3,7,12H,4-6H2
InChIKeyJRDNBADOSXXGJR-UHFFFAOYSA-N
MW227.10 g/mol
LogP2.47
Rot. Bonds1

About (4-bromo-2,3-dihydro-1H-inden-1-yl)methanol

(4-bromo-2,3-dihydro-1H-inden-1-yl)methanol (PubChem CID 105484317) has the molecular formula C10H11BrO and a molecular weight of 227.10 g/mol. Its IUPAC name is (4-bromo-2,3-dihydro-1H-inden-1-yl)methanol.

Molecular Properties

Compound Name(4-bromo-2,3-dihydro-1H-inden-1-yl)methanol
PubChem CID105484317
Molecular FormulaC10H11BrO
Molecular Weight227.10 g/mol
Exact Mass226.00
IUPAC Name(4-bromo-2,3-dihydro-1H-inden-1-yl)methanol
SMILESOCC1CCc2c(Br)cccc21
InChIInChI=1S/C10H11BrO/c11-10-3-1-2-8-7(6-12)4-5-9(8)10/h1-3,7,12H,4-6H2
InChIKeyJRDNBADOSXXGJR-UHFFFAOYSA-N
XLogP2.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.10
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Bromo-1-indanol
CID 13330208
1-Indanmethanol
CID 271880
(1R)-4-bromo-2,3-dihydro-1H-inden-1-ol
CID 51915875
2-(3-Bromophenyl)propan-1-ol
CID 12802909
(1S)-4-bromo-2,3-dihydro-1H-inden-1-ol
CID 51915874
2-(4-Bromo-2-methylphenyl)ethanol
CID 57842852
7-Bromo-2,3-dihydro-1H-inden-1-ol
CID 58306680
2-(3-Bromophenyl)-2-cyclohexylethan-1-ol
CID 79016626
2-(2-Bromophenyl)-2-cyclobutylethan-1-ol
CID 116491344
(6-bromo-2,3-dihydro-1H-inden-5-yl)methanol
CID 155978340
4-bromo-2,3-dihydro-1H-indene-1-carboxylic acid
CID 12397743
4-bromo-1-fluoro-2,3-dihydro-1H-inden-2-ol
CID 14515301

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,3-dihydro-1H-inden-1-yl)methanol?
The IUPAC name of (4-bromo-2,3-dihydro-1H-inden-1-yl)methanol (CID 105484317) is (4-bromo-2,3-dihydro-1H-inden-1-yl)methanol.
What is the SMILES notation for (4-bromo-2,3-dihydro-1H-inden-1-yl)methanol?
The canonical SMILES for (4-bromo-2,3-dihydro-1H-inden-1-yl)methanol is OCC1CCc2c(Br)cccc21.
What is the InChIKey of (4-bromo-2,3-dihydro-1H-inden-1-yl)methanol?
The InChIKey is JRDNBADOSXXGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO/c11-10-3-1-2-8-7(6-12)4-5-9(8)10/h1-3,7,12H,4-6H2.
What are the key properties of (4-bromo-2,3-dihydro-1H-inden-1-yl)methanol?
(4-bromo-2,3-dihydro-1H-inden-1-yl)methanol has a molecular weight of 227.10 g/mol, XLogP of 2.47, 1 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-yl)methanol is sourced from PubChem (CID 105484317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).