2-(3-bromo-1-methylindol-4-yl)propan-1-ol

C12H14BrNO — CID 117423783

IUPAC2-(3-bromo-1-methylindol-4-yl)propan-1-ol
SMILESCC(CO)c1cccc2c1c(Br)cn2C
InChIInChI=1S/C12H14BrNO/c1-8(7-15)9-4-3-5-11-12(9)10(13)6-14(11)2/h3-6,8,15H,7H2,1-2H3
InChIKeyHECKOYKGJKSTAG-UHFFFAOYSA-N
MW268.15 g/mol
LogP3.04
Rot. Bonds2

About 2-(3-bromo-1-methylindol-4-yl)propan-1-ol

2-(3-bromo-1-methylindol-4-yl)propan-1-ol (PubChem CID 117423783) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is 2-(3-bromo-1-methylindol-4-yl)propan-1-ol.

Molecular Properties

Compound Name2-(3-bromo-1-methylindol-4-yl)propan-1-ol
PubChem CID117423783
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name2-(3-bromo-1-methylindol-4-yl)propan-1-ol
SMILESCC(CO)c1cccc2c1c(Br)cn2C
InChIInChI=1S/C12H14BrNO/c1-8(7-15)9-4-3-5-11-12(9)10(13)6-14(11)2/h3-6,8,15H,7H2,1-2H3
InChIKeyHECKOYKGJKSTAG-UHFFFAOYSA-N
XLogP3.04
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-3-methylphenyl)propan-1-ol
CID 117329757
3-(1-fluoroethyl)-1-methylindol-4-ol
CID 84664633
1-methyl-4-propan-2-ylindole-3-thiol
CID 143675631
1-(3-chloro-1-methylindol-4-yl)ethanol
CID 84677358
4-bromo-3-(isocyanomethyl)-1-methylindole
CID 83488345
(4-chloro-1-methylindol-3-yl)methanol
CID 117119629
1-(4-fluoro-1-methylindol-3-yl)ethanol
CID 117119627
2-(2-methoxy-3-propan-2-ylphenyl)propan-1-ol
CID 117297911
4-bromo-3-(2-isocyanoethyl)-1-methylindole
CID 83488756
3-(1-fluoroethyl)-1-methylindole-4-carboxylic acid
CID 84686515
3-bromo-1-methylindole
CID 13357736
1-methyl-3-(propan-2-yloxymethyl)indole-4-carboxylic acid
CID 117171603

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-1-methylindol-4-yl)propan-1-ol?
The IUPAC name of 2-(3-bromo-1-methylindol-4-yl)propan-1-ol (CID 117423783) is 2-(3-bromo-1-methylindol-4-yl)propan-1-ol.
What is the SMILES notation for 2-(3-bromo-1-methylindol-4-yl)propan-1-ol?
The canonical SMILES for 2-(3-bromo-1-methylindol-4-yl)propan-1-ol is CC(CO)c1cccc2c1c(Br)cn2C.
What is the InChIKey of 2-(3-bromo-1-methylindol-4-yl)propan-1-ol?
The InChIKey is HECKOYKGJKSTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c1-8(7-15)9-4-3-5-11-12(9)10(13)6-14(11)2/h3-6,8,15H,7H2,1-2H3.
What are the key properties of 2-(3-bromo-1-methylindol-4-yl)propan-1-ol?
2-(3-bromo-1-methylindol-4-yl)propan-1-ol has a molecular weight of 268.15 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-1-methylindol-4-yl)propan-1-ol is sourced from PubChem (CID 117423783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).