1-(5-bromoindol-1-yl)propan-2-ol

C11H12BrNO — CID 10848515

IUPAC1-(5-bromoindol-1-yl)propan-2-ol
SMILESCC(O)Cn1ccc2cc(Br)ccc21
InChIInChI=1S/C11H12BrNO/c1-8(14)7-13-5-4-9-6-10(12)2-3-11(9)13/h2-6,8,14H,7H2,1H3
InChIKeyYEWZKNJUOVXJCT-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.78
Rot. Bonds2

About 1-(5-bromoindol-1-yl)propan-2-ol

1-(5-bromoindol-1-yl)propan-2-ol (PubChem CID 10848515) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is 1-(5-bromoindol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(5-bromoindol-1-yl)propan-2-ol
PubChem CID10848515
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC Name1-(5-bromoindol-1-yl)propan-2-ol
SMILESCC(O)Cn1ccc2cc(Br)ccc21
InChIInChI=1S/C11H12BrNO/c1-8(14)7-13-5-4-9-6-10(12)2-3-11(9)13/h2-6,8,14H,7H2,1H3
InChIKeyYEWZKNJUOVXJCT-UHFFFAOYSA-N
XLogP2.78
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromoindol-1-yl)propan-2-ol?
The IUPAC name of 1-(5-bromoindol-1-yl)propan-2-ol (CID 10848515) is 1-(5-bromoindol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(5-bromoindol-1-yl)propan-2-ol?
The canonical SMILES for 1-(5-bromoindol-1-yl)propan-2-ol is CC(O)Cn1ccc2cc(Br)ccc21.
What is the InChIKey of 1-(5-bromoindol-1-yl)propan-2-ol?
The InChIKey is YEWZKNJUOVXJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO/c1-8(14)7-13-5-4-9-6-10(12)2-3-11(9)13/h2-6,8,14H,7H2,1H3.
What are the key properties of 1-(5-bromoindol-1-yl)propan-2-ol?
1-(5-bromoindol-1-yl)propan-2-ol has a molecular weight of 254.13 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromoindol-1-yl)propan-2-ol is sourced from PubChem (CID 10848515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).