2-(5-bromo-1H-indol-2-yl)propan-2-ol

C11H12BrNO — CID 82381693

IUPAC2-(5-bromo-1H-indol-2-yl)propan-2-ol
SMILESCC(C)(O)c1cc2cc(Br)ccc2[nH]1
InChIInChI=1S/C11H12BrNO/c1-11(2,14)10-6-7-5-8(12)3-4-9(7)13-10/h3-6,13-14H,1-2H3
InChIKeyHMKJUYYZVGMCFK-UHFFFAOYSA-N
MW254.13 g/mol
LogP3.16
Rot. Bonds1

About 2-(5-bromo-1H-indol-2-yl)propan-2-ol

2-(5-bromo-1H-indol-2-yl)propan-2-ol (PubChem CID 82381693) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is 2-(5-bromo-1H-indol-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(5-bromo-1H-indol-2-yl)propan-2-ol
PubChem CID82381693
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC Name2-(5-bromo-1H-indol-2-yl)propan-2-ol
SMILESCC(C)(O)c1cc2cc(Br)ccc2[nH]1
InChIInChI=1S/C11H12BrNO/c1-11(2,14)10-6-7-5-8(12)3-4-9(7)13-10/h3-6,13-14H,1-2H3
InChIKeyHMKJUYYZVGMCFK-UHFFFAOYSA-N
XLogP3.16
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1H-indol-2-yl)propan-2-ol?
The IUPAC name of 2-(5-bromo-1H-indol-2-yl)propan-2-ol (CID 82381693) is 2-(5-bromo-1H-indol-2-yl)propan-2-ol.
What is the SMILES notation for 2-(5-bromo-1H-indol-2-yl)propan-2-ol?
The canonical SMILES for 2-(5-bromo-1H-indol-2-yl)propan-2-ol is CC(C)(O)c1cc2cc(Br)ccc2[nH]1.
What is the InChIKey of 2-(5-bromo-1H-indol-2-yl)propan-2-ol?
The InChIKey is HMKJUYYZVGMCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO/c1-11(2,14)10-6-7-5-8(12)3-4-9(7)13-10/h3-6,13-14H,1-2H3.
What are the key properties of 2-(5-bromo-1H-indol-2-yl)propan-2-ol?
2-(5-bromo-1H-indol-2-yl)propan-2-ol has a molecular weight of 254.13 g/mol, XLogP of 3.16, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1H-indol-2-yl)propan-2-ol is sourced from PubChem (CID 82381693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).