3-(4,7-dichloro-1H-indol-3-yl)propan-1-ol

C11H11Cl2NO — CID 82374009

IUPAC3-(4,7-dichloro-1H-indol-3-yl)propan-1-ol
SMILESOCCCc1c[nH]c2c(Cl)ccc(Cl)c12
InChIInChI=1S/C11H11Cl2NO/c12-8-3-4-9(13)11-10(8)7(6-14-11)2-1-5-15/h3-4,6,14-15H,1-2,5H2
InChIKeyDEPYRQCJZLVNHK-UHFFFAOYSA-N
MW244.12 g/mol
LogP3.40
Rot. Bonds3

About 3-(4,7-dichloro-1H-indol-3-yl)propan-1-ol

3-(4,7-dichloro-1H-indol-3-yl)propan-1-ol (PubChem CID 82374009) has the molecular formula C11H11Cl2NO and a molecular weight of 244.12 g/mol. Its IUPAC name is 3-(4,7-dichloro-1H-indol-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(4,7-dichloro-1H-indol-3-yl)propan-1-ol
PubChem CID82374009
Molecular FormulaC11H11Cl2NO
Molecular Weight244.12 g/mol
Exact Mass243.02
IUPAC Name3-(4,7-dichloro-1H-indol-3-yl)propan-1-ol
SMILESOCCCc1c[nH]c2c(Cl)ccc(Cl)c12
InChIInChI=1S/C11H11Cl2NO/c12-8-3-4-9(13)11-10(8)7(6-14-11)2-1-5-15/h3-4,6,14-15H,1-2,5H2
InChIKeyDEPYRQCJZLVNHK-UHFFFAOYSA-N
XLogP3.40
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.12
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4,7-dichloro-1H-indol-3-yl)propan-1-ol?
The IUPAC name of 3-(4,7-dichloro-1H-indol-3-yl)propan-1-ol (CID 82374009) is 3-(4,7-dichloro-1H-indol-3-yl)propan-1-ol.
What is the SMILES notation for 3-(4,7-dichloro-1H-indol-3-yl)propan-1-ol?
The canonical SMILES for 3-(4,7-dichloro-1H-indol-3-yl)propan-1-ol is OCCCc1c[nH]c2c(Cl)ccc(Cl)c12.
What is the InChIKey of 3-(4,7-dichloro-1H-indol-3-yl)propan-1-ol?
The InChIKey is DEPYRQCJZLVNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO/c12-8-3-4-9(13)11-10(8)7(6-14-11)2-1-5-15/h3-4,6,14-15H,1-2,5H2.
What are the key properties of 3-(4,7-dichloro-1H-indol-3-yl)propan-1-ol?
3-(4,7-dichloro-1H-indol-3-yl)propan-1-ol has a molecular weight of 244.12 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,7-dichloro-1H-indol-3-yl)propan-1-ol is sourced from PubChem (CID 82374009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).