2-(6-bromo-1-propan-2-ylindol-2-yl)propan-1-ol

C14H18BrNO — CID 117122779

IUPAC2-(6-bromo-1-propan-2-ylindol-2-yl)propan-1-ol
SMILESCC(CO)c1cc2ccc(Br)cc2n1C(C)C
InChIInChI=1S/C14H18BrNO/c1-9(2)16-13(10(3)8-17)6-11-4-5-12(15)7-14(11)16/h4-7,9-10,17H,8H2,1-3H3
InChIKeyYJBVNWWOSHOPPR-UHFFFAOYSA-N
MW296.21 g/mol
LogP4.08
Rot. Bonds3

About 2-(6-bromo-1-propan-2-ylindol-2-yl)propan-1-ol

2-(6-bromo-1-propan-2-ylindol-2-yl)propan-1-ol (PubChem CID 117122779) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 2-(6-bromo-1-propan-2-ylindol-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-(6-bromo-1-propan-2-ylindol-2-yl)propan-1-ol
PubChem CID117122779
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name2-(6-bromo-1-propan-2-ylindol-2-yl)propan-1-ol
SMILESCC(CO)c1cc2ccc(Br)cc2n1C(C)C
InChIInChI=1S/C14H18BrNO/c1-9(2)16-13(10(3)8-17)6-11-4-5-12(15)7-14(11)16/h4-7,9-10,17H,8H2,1-3H3
InChIKeyYJBVNWWOSHOPPR-UHFFFAOYSA-N
XLogP4.08
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-1-propan-2-ylindol-2-yl)propan-1-ol?
The IUPAC name of 2-(6-bromo-1-propan-2-ylindol-2-yl)propan-1-ol (CID 117122779) is 2-(6-bromo-1-propan-2-ylindol-2-yl)propan-1-ol.
What is the SMILES notation for 2-(6-bromo-1-propan-2-ylindol-2-yl)propan-1-ol?
The canonical SMILES for 2-(6-bromo-1-propan-2-ylindol-2-yl)propan-1-ol is CC(CO)c1cc2ccc(Br)cc2n1C(C)C.
What is the InChIKey of 2-(6-bromo-1-propan-2-ylindol-2-yl)propan-1-ol?
The InChIKey is YJBVNWWOSHOPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-9(2)16-13(10(3)8-17)6-11-4-5-12(15)7-14(11)16/h4-7,9-10,17H,8H2,1-3H3.
What are the key properties of 2-(6-bromo-1-propan-2-ylindol-2-yl)propan-1-ol?
2-(6-bromo-1-propan-2-ylindol-2-yl)propan-1-ol has a molecular weight of 296.21 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-1-propan-2-ylindol-2-yl)propan-1-ol is sourced from PubChem (CID 117122779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).