3-(5-bromo-1-propylindol-3-yl)propan-1-ol

C14H18BrNO — CID 83946739

IUPAC3-(5-bromo-1-propylindol-3-yl)propan-1-ol
SMILESCCCn1cc(CCCO)c2cc(Br)ccc21
InChIInChI=1S/C14H18BrNO/c1-2-7-16-10-11(4-3-8-17)13-9-12(15)5-6-14(13)16/h5-6,9-10,17H,2-4,7-8H2,1H3
InChIKeyONAGPBXKHVNEEP-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.74
Rot. Bonds5

About 3-(5-bromo-1-propylindol-3-yl)propan-1-ol

3-(5-bromo-1-propylindol-3-yl)propan-1-ol (PubChem CID 83946739) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 3-(5-bromo-1-propylindol-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(5-bromo-1-propylindol-3-yl)propan-1-ol
PubChem CID83946739
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name3-(5-bromo-1-propylindol-3-yl)propan-1-ol
SMILESCCCn1cc(CCCO)c2cc(Br)ccc21
InChIInChI=1S/C14H18BrNO/c1-2-7-16-10-11(4-3-8-17)13-9-12(15)5-6-14(13)16/h5-6,9-10,17H,2-4,7-8H2,1H3
InChIKeyONAGPBXKHVNEEP-UHFFFAOYSA-N
XLogP3.74
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-1-propylindol-3-yl)propan-1-ol?
The IUPAC name of 3-(5-bromo-1-propylindol-3-yl)propan-1-ol (CID 83946739) is 3-(5-bromo-1-propylindol-3-yl)propan-1-ol.
What is the SMILES notation for 3-(5-bromo-1-propylindol-3-yl)propan-1-ol?
The canonical SMILES for 3-(5-bromo-1-propylindol-3-yl)propan-1-ol is CCCn1cc(CCCO)c2cc(Br)ccc21.
What is the InChIKey of 3-(5-bromo-1-propylindol-3-yl)propan-1-ol?
The InChIKey is ONAGPBXKHVNEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-2-7-16-10-11(4-3-8-17)13-9-12(15)5-6-14(13)16/h5-6,9-10,17H,2-4,7-8H2,1H3.
What are the key properties of 3-(5-bromo-1-propylindol-3-yl)propan-1-ol?
3-(5-bromo-1-propylindol-3-yl)propan-1-ol has a molecular weight of 296.21 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-1-propylindol-3-yl)propan-1-ol is sourced from PubChem (CID 83946739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).