3-(5-bromo-3-propan-2-ylindol-1-yl)propan-1-ol

C14H18BrNO — CID 83946753

IUPAC3-(5-bromo-3-propan-2-ylindol-1-yl)propan-1-ol
SMILESCC(C)c1cn(CCCO)c2ccc(Br)cc12
InChIInChI=1S/C14H18BrNO/c1-10(2)13-9-16(6-3-7-17)14-5-4-11(15)8-12(13)14/h4-5,8-10,17H,3,6-7H2,1-2H3
InChIKeyZLUIDROBVPXIHO-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.91
Rot. Bonds4

About 3-(5-bromo-3-propan-2-ylindol-1-yl)propan-1-ol

3-(5-bromo-3-propan-2-ylindol-1-yl)propan-1-ol (PubChem CID 83946753) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 3-(5-bromo-3-propan-2-ylindol-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(5-bromo-3-propan-2-ylindol-1-yl)propan-1-ol
PubChem CID83946753
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name3-(5-bromo-3-propan-2-ylindol-1-yl)propan-1-ol
SMILESCC(C)c1cn(CCCO)c2ccc(Br)cc12
InChIInChI=1S/C14H18BrNO/c1-10(2)13-9-16(6-3-7-17)14-5-4-11(15)8-12(13)14/h4-5,8-10,17H,3,6-7H2,1-2H3
InChIKeyZLUIDROBVPXIHO-UHFFFAOYSA-N
XLogP3.91
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 5-bromo-1-(3-hydroxypropyl)indole-3-carboxylate
CID 83948124
methyl 2-[5-bromo-1-(3-hydroxypropyl)indol-3-yl]acetate
CID 83946749
3-(5-bromo-1-propylindol-3-yl)propan-1-ol
CID 83946739
3-(5-methyl-3-propan-2-ylindol-1-yl)propan-1-amine
CID 83948737
1-[5-bromo-1-(2-hydroxyethyl)indol-3-yl]ethanone
CID 83948117
1-[1-(3-hydroxypropyl)-5-propan-2-ylindol-3-yl]ethanone
CID 83947629
2-[6-bromo-1-(3-hydroxypropyl)indol-3-yl]acetic acid
CID 83946695
6-bromo-1-methyl-3-propan-2-ylindole
CID 115046928
4-[(6-bromo-3-propan-2-ylindol-1-yl)methyl]benzoic acid
CID 171714095
3-[5-bromo-3-[carboxy-(4-methylpiperazin-1-yl)methyl]indol-1-yl]propanoic acid
CID 45491824
2-[5-bromo-3-(3-hydroxypropyl)indol-1-yl]acetic acid
CID 83946733
3-(5-bromo-3-methylindol-1-yl)propanoic acid
CID 82502249

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-3-propan-2-ylindol-1-yl)propan-1-ol?
The IUPAC name of 3-(5-bromo-3-propan-2-ylindol-1-yl)propan-1-ol (CID 83946753) is 3-(5-bromo-3-propan-2-ylindol-1-yl)propan-1-ol.
What is the SMILES notation for 3-(5-bromo-3-propan-2-ylindol-1-yl)propan-1-ol?
The canonical SMILES for 3-(5-bromo-3-propan-2-ylindol-1-yl)propan-1-ol is CC(C)c1cn(CCCO)c2ccc(Br)cc12.
What is the InChIKey of 3-(5-bromo-3-propan-2-ylindol-1-yl)propan-1-ol?
The InChIKey is ZLUIDROBVPXIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-10(2)13-9-16(6-3-7-17)14-5-4-11(15)8-12(13)14/h4-5,8-10,17H,3,6-7H2,1-2H3.
What are the key properties of 3-(5-bromo-3-propan-2-ylindol-1-yl)propan-1-ol?
3-(5-bromo-3-propan-2-ylindol-1-yl)propan-1-ol has a molecular weight of 296.21 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-3-propan-2-ylindol-1-yl)propan-1-ol is sourced from PubChem (CID 83946753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).