(4-bromo-1H-indol-3-yl)methanol

C9H8BrNO — CID 53414552

IUPAC(4-bromo-1H-indol-3-yl)methanol
SMILESOCc1c[nH]c2cccc(Br)c12
InChIInChI=1S/C9H8BrNO/c10-7-2-1-3-8-9(7)6(5-12)4-11-8/h1-4,11-12H,5H2
InChIKeyALSCHTQXMJNCJS-UHFFFAOYSA-N
MW226.07 g/mol
LogP2.42
Rot. Bonds1

About (4-bromo-1H-indol-3-yl)methanol

(4-bromo-1H-indol-3-yl)methanol (PubChem CID 53414552) has the molecular formula C9H8BrNO and a molecular weight of 226.07 g/mol. Its IUPAC name is (4-bromo-1H-indol-3-yl)methanol.

Molecular Properties

Compound Name(4-bromo-1H-indol-3-yl)methanol
PubChem CID53414552
Molecular FormulaC9H8BrNO
Molecular Weight226.07 g/mol
Exact Mass224.98
IUPAC Name(4-bromo-1H-indol-3-yl)methanol
SMILESOCc1c[nH]c2cccc(Br)c12
InChIInChI=1S/C9H8BrNO/c10-7-2-1-3-8-9(7)6(5-12)4-11-8/h1-4,11-12H,5H2
InChIKeyALSCHTQXMJNCJS-UHFFFAOYSA-N
XLogP2.42
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.07
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-1H-indol-3-yl)methanol?
The IUPAC name of (4-bromo-1H-indol-3-yl)methanol (CID 53414552) is (4-bromo-1H-indol-3-yl)methanol.
What is the SMILES notation for (4-bromo-1H-indol-3-yl)methanol?
The canonical SMILES for (4-bromo-1H-indol-3-yl)methanol is OCc1c[nH]c2cccc(Br)c12.
What is the InChIKey of (4-bromo-1H-indol-3-yl)methanol?
The InChIKey is ALSCHTQXMJNCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO/c10-7-2-1-3-8-9(7)6(5-12)4-11-8/h1-4,11-12H,5H2.
What are the key properties of (4-bromo-1H-indol-3-yl)methanol?
(4-bromo-1H-indol-3-yl)methanol has a molecular weight of 226.07 g/mol, XLogP of 2.42, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1H-indol-3-yl)methanol is sourced from PubChem (CID 53414552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).