3-(4-bromoindol-1-yl)propan-1-ol

C11H12BrNO — CID 66827430

IUPAC3-(4-bromoindol-1-yl)propan-1-ol
SMILESOCCCn1ccc2c(Br)cccc21
InChIInChI=1S/C11H12BrNO/c12-10-3-1-4-11-9(10)5-7-13(11)6-2-8-14/h1,3-5,7,14H,2,6,8H2
InChIKeyAYFWYGVBEXQJSO-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.79
Rot. Bonds3

About 3-(4-bromoindol-1-yl)propan-1-ol

3-(4-bromoindol-1-yl)propan-1-ol (PubChem CID 66827430) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is 3-(4-bromoindol-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(4-bromoindol-1-yl)propan-1-ol
PubChem CID66827430
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC Name3-(4-bromoindol-1-yl)propan-1-ol
SMILESOCCCn1ccc2c(Br)cccc21
InChIInChI=1S/C11H12BrNO/c12-10-3-1-4-11-9(10)5-7-13(11)6-2-8-14/h1,3-5,7,14H,2,6,8H2
InChIKeyAYFWYGVBEXQJSO-UHFFFAOYSA-N
XLogP2.79
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-bromoindol-1-yl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromoindol-1-yl)ethanol
CID 66827454
4-bromo-1-(3-phenylpropyl)indole
CID 116625927
4-bromo-1-(4-phenylbutyl)indole
CID 114334837
4-(4-bromoindol-1-yl)-N-methylbutan-1-amine
CID 115352042
methyl 4-(4-bromoindol-1-yl)butanoate
CID 115351462
4-bromo-1-(2-methylsulfanylethyl)indole
CID 116626132
5-(4-fluoroindol-1-yl)pentan-1-ol
CID 82791901
3-[3-(4-bromoindol-1-yl)propoxy]aniline
CID 115351430
4-bromo-1-[2-(trifluoromethoxy)ethyl]indole
CID 116626212
4-bromo-1-(2-pyridin-4-ylethyl)indole
CID 116625918
3-[1-(3-hydroxypropyl)indol-4-yl]pyrrole-2,5-dione
CID 68885958
(E)-4-(4-bromoindol-1-yl)but-2-enoic acid
CID 115351450

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromoindol-1-yl)propan-1-ol?
The IUPAC name of 3-(4-bromoindol-1-yl)propan-1-ol (CID 66827430) is 3-(4-bromoindol-1-yl)propan-1-ol.
What is the SMILES notation for 3-(4-bromoindol-1-yl)propan-1-ol?
The canonical SMILES for 3-(4-bromoindol-1-yl)propan-1-ol is OCCCn1ccc2c(Br)cccc21.
What is the InChIKey of 3-(4-bromoindol-1-yl)propan-1-ol?
The InChIKey is AYFWYGVBEXQJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO/c12-10-3-1-4-11-9(10)5-7-13(11)6-2-8-14/h1,3-5,7,14H,2,6,8H2.
What are the key properties of 3-(4-bromoindol-1-yl)propan-1-ol?
3-(4-bromoindol-1-yl)propan-1-ol has a molecular weight of 254.13 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromoindol-1-yl)propan-1-ol is sourced from PubChem (CID 66827430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).