1-bromo-3-(6-methylindol-1-yl)propan-2-ol

C12H14BrNO — CID 130577128

IUPAC1-bromo-3-(6-methylindol-1-yl)propan-2-ol
SMILESCc1ccc2ccn(CC(O)CBr)c2c1
InChIInChI=1S/C12H14BrNO/c1-9-2-3-10-4-5-14(12(10)6-9)8-11(15)7-13/h2-6,11,15H,7-8H2,1H3
InChIKeyAQQZQFWVFDZKFW-UHFFFAOYSA-N
MW268.15 g/mol
LogP2.71
Rot. Bonds3

About 1-bromo-3-(6-methylindol-1-yl)propan-2-ol

1-bromo-3-(6-methylindol-1-yl)propan-2-ol (PubChem CID 130577128) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is 1-bromo-3-(6-methylindol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-bromo-3-(6-methylindol-1-yl)propan-2-ol
PubChem CID130577128
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name1-bromo-3-(6-methylindol-1-yl)propan-2-ol
SMILESCc1ccc2ccn(CC(O)CBr)c2c1
InChIInChI=1S/C12H14BrNO/c1-9-2-3-10-4-5-14(12(10)6-9)8-11(15)7-13/h2-6,11,15H,7-8H2,1H3
InChIKeyAQQZQFWVFDZKFW-UHFFFAOYSA-N
XLogP2.71
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(6-methylindol-1-yl)propan-2-ol?
The IUPAC name of 1-bromo-3-(6-methylindol-1-yl)propan-2-ol (CID 130577128) is 1-bromo-3-(6-methylindol-1-yl)propan-2-ol.
What is the SMILES notation for 1-bromo-3-(6-methylindol-1-yl)propan-2-ol?
The canonical SMILES for 1-bromo-3-(6-methylindol-1-yl)propan-2-ol is Cc1ccc2ccn(CC(O)CBr)c2c1.
What is the InChIKey of 1-bromo-3-(6-methylindol-1-yl)propan-2-ol?
The InChIKey is AQQZQFWVFDZKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c1-9-2-3-10-4-5-14(12(10)6-9)8-11(15)7-13/h2-6,11,15H,7-8H2,1H3.
What are the key properties of 1-bromo-3-(6-methylindol-1-yl)propan-2-ol?
1-bromo-3-(6-methylindol-1-yl)propan-2-ol has a molecular weight of 268.15 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(6-methylindol-1-yl)propan-2-ol is sourced from PubChem (CID 130577128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).