3-(3-bromo-1H-indol-4-yl)propan-1-ol

C11H12BrNO — CID 117388096

IUPAC3-(3-bromo-1H-indol-4-yl)propan-1-ol
SMILESOCCCc1cccc2[nH]cc(Br)c12
InChIInChI=1S/C11H12BrNO/c12-9-7-13-10-5-1-3-8(11(9)10)4-2-6-14/h1,3,5,7,13-14H,2,4,6H2
InChIKeyGPEYBYQQZVYFJO-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.86
Rot. Bonds3

About 3-(3-bromo-1H-indol-4-yl)propan-1-ol

3-(3-bromo-1H-indol-4-yl)propan-1-ol (PubChem CID 117388096) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is 3-(3-bromo-1H-indol-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-(3-bromo-1H-indol-4-yl)propan-1-ol
PubChem CID117388096
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC Name3-(3-bromo-1H-indol-4-yl)propan-1-ol
SMILESOCCCc1cccc2[nH]cc(Br)c12
InChIInChI=1S/C11H12BrNO/c12-9-7-13-10-5-1-3-8(11(9)10)4-2-6-14/h1,3,5,7,13-14H,2,4,6H2
InChIKeyGPEYBYQQZVYFJO-UHFFFAOYSA-N
XLogP2.86
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 28806342
3-bromo-4-(tert-butylsulfonylmethyl)-1H-indole
CID 165062393
4-pentyl-3-phenyl-1H-indole
CID 52914929
2-(4-bromo-1H-indol-3-yl)acetonitrile
CID 11020839
2-(4-bromo-1H-indol-3-yl)acetaldehyde
CID 117194859
3-(5-amino-4-ethylsulfanyl-1H-indol-3-yl)propan-1-ol
CID 22405673
2-(3-bromo-1H-indol-4-yl)propan-1-amine
CID 83900751
2-(3-bromo-1H-indol-4-yl)propan-2-amine
CID 117385066
3-(4,7-dichloro-1H-indol-3-yl)propan-1-ol
CID 82374009
3-naphthalen-1-ylpropan-1-ol
CID 14711518
2-amino-2-(3-bromo-1H-indol-4-yl)acetic acid
CID 83903017
2-[2-(4-fluoro-1H-indol-3-yl)ethyl-methylamino]ethanol
CID 169001095

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-1H-indol-4-yl)propan-1-ol?
The IUPAC name of 3-(3-bromo-1H-indol-4-yl)propan-1-ol (CID 117388096) is 3-(3-bromo-1H-indol-4-yl)propan-1-ol.
What is the SMILES notation for 3-(3-bromo-1H-indol-4-yl)propan-1-ol?
The canonical SMILES for 3-(3-bromo-1H-indol-4-yl)propan-1-ol is OCCCc1cccc2[nH]cc(Br)c12.
What is the InChIKey of 3-(3-bromo-1H-indol-4-yl)propan-1-ol?
The InChIKey is GPEYBYQQZVYFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO/c12-9-7-13-10-5-1-3-8(11(9)10)4-2-6-14/h1,3,5,7,13-14H,2,4,6H2.
What are the key properties of 3-(3-bromo-1H-indol-4-yl)propan-1-ol?
3-(3-bromo-1H-indol-4-yl)propan-1-ol has a molecular weight of 254.13 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-1H-indol-4-yl)propan-1-ol is sourced from PubChem (CID 117388096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).