3-(6-chloro-5-methoxyindol-1-yl)propan-1-ol

C12H14ClNO2 — CID 83944491

IUPAC3-(6-chloro-5-methoxyindol-1-yl)propan-1-ol
SMILESCOc1cc2ccn(CCCO)c2cc1Cl
InChIInChI=1S/C12H14ClNO2/c1-16-12-7-9-3-5-14(4-2-6-15)11(9)8-10(12)13/h3,5,7-8,15H,2,4,6H2,1H3
InChIKeyZEJIDGKPTVOJJU-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.69
Rot. Bonds4

About 3-(6-chloro-5-methoxyindol-1-yl)propan-1-ol

3-(6-chloro-5-methoxyindol-1-yl)propan-1-ol (PubChem CID 83944491) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 3-(6-chloro-5-methoxyindol-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(6-chloro-5-methoxyindol-1-yl)propan-1-ol
PubChem CID83944491
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name3-(6-chloro-5-methoxyindol-1-yl)propan-1-ol
SMILESCOc1cc2ccn(CCCO)c2cc1Cl
InChIInChI=1S/C12H14ClNO2/c1-16-12-7-9-3-5-14(4-2-6-15)11(9)8-10(12)13/h3,5,7-8,15H,2,4,6H2,1H3
InChIKeyZEJIDGKPTVOJJU-UHFFFAOYSA-N
XLogP2.69
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-chloro-5-methoxyindol-1-yl)propanoic acid
CID 82499558
3-(5,6-diethoxyindol-1-yl)propan-1-ol
CID 83944745
2-(6-chloro-5-methylindol-1-yl)ethanol
CID 83944384
6-(5-methoxyindol-1-yl)hexan-1-ol
CID 107707082
1-[(4-chlorophenyl)methyl]-5,6-dimethoxyindole
CID 22256781
3-(5,6-dimethoxyindol-1-yl)propanenitrile
CID 21216857
2-(5,6-dimethylindol-1-yl)ethanol
CID 83944319
1-(3-hydroxypropyl)indole-6-carbonitrile
CID 15490884
3-[6-(aminomethyl)indol-1-yl]propan-1-ol
CID 102916381
3-(6-chloro-5-methoxy-2-methylindol-1-yl)propan-1-amine
CID 82499498
3-[5-(ethylaminomethyl)indol-1-yl]propan-1-ol
CID 102915831
1-(3-hydroxypropyl)indole-6-carbaldehyde
CID 102911092

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-5-methoxyindol-1-yl)propan-1-ol?
The IUPAC name of 3-(6-chloro-5-methoxyindol-1-yl)propan-1-ol (CID 83944491) is 3-(6-chloro-5-methoxyindol-1-yl)propan-1-ol.
What is the SMILES notation for 3-(6-chloro-5-methoxyindol-1-yl)propan-1-ol?
The canonical SMILES for 3-(6-chloro-5-methoxyindol-1-yl)propan-1-ol is COc1cc2ccn(CCCO)c2cc1Cl.
What is the InChIKey of 3-(6-chloro-5-methoxyindol-1-yl)propan-1-ol?
The InChIKey is ZEJIDGKPTVOJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-16-12-7-9-3-5-14(4-2-6-15)11(9)8-10(12)13/h3,5,7-8,15H,2,4,6H2,1H3.
What are the key properties of 3-(6-chloro-5-methoxyindol-1-yl)propan-1-ol?
3-(6-chloro-5-methoxyindol-1-yl)propan-1-ol has a molecular weight of 239.70 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-5-methoxyindol-1-yl)propan-1-ol is sourced from PubChem (CID 83944491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).