6-chloro-3-(3-hydroxyindol-1-yl)nonanoic acid

C17H22ClNO3 — CID 66643394

IUPAC6-chloro-3-(3-hydroxyindol-1-yl)nonanoic acid
SMILESCCCC(Cl)CCC(CC(=O)O)n1cc(O)c2ccccc21
InChIInChI=1S/C17H22ClNO3/c1-2-5-12(18)8-9-13(10-17(21)22)19-11-16(20)14-6-3-4-7-15(14)19/h3-4,6-7,11-13,20H,2,5,8-10H2,1H3,(H,21,22)
InChIKeyJALNGDLMEVSMMU-UHFFFAOYSA-N
MW323.82 g/mol
LogP4.55
Rot. Bonds8

About 6-chloro-3-(3-hydroxyindol-1-yl)nonanoic acid

6-chloro-3-(3-hydroxyindol-1-yl)nonanoic acid (PubChem CID 66643394) has the molecular formula C17H22ClNO3 and a molecular weight of 323.82 g/mol. Its IUPAC name is 6-chloro-3-(3-hydroxyindol-1-yl)nonanoic acid.

Molecular Properties

Compound Name6-chloro-3-(3-hydroxyindol-1-yl)nonanoic acid
PubChem CID66643394
Molecular FormulaC17H22ClNO3
Molecular Weight323.82 g/mol
Exact Mass323.13
IUPAC Name6-chloro-3-(3-hydroxyindol-1-yl)nonanoic acid
SMILESCCCC(Cl)CCC(CC(=O)O)n1cc(O)c2ccccc21
InChIInChI=1S/C17H22ClNO3/c1-2-5-12(18)8-9-13(10-17(21)22)19-11-16(20)14-6-3-4-7-15(14)19/h3-4,6-7,11-13,20H,2,5,8-10H2,1H3,(H,21,22)
InChIKeyJALNGDLMEVSMMU-UHFFFAOYSA-N
XLogP4.55
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3-hydroxyindol-1-yl)nonanoic acid?
The IUPAC name of 6-chloro-3-(3-hydroxyindol-1-yl)nonanoic acid (CID 66643394) is 6-chloro-3-(3-hydroxyindol-1-yl)nonanoic acid.
What is the SMILES notation for 6-chloro-3-(3-hydroxyindol-1-yl)nonanoic acid?
The canonical SMILES for 6-chloro-3-(3-hydroxyindol-1-yl)nonanoic acid is CCCC(Cl)CCC(CC(=O)O)n1cc(O)c2ccccc21.
What is the InChIKey of 6-chloro-3-(3-hydroxyindol-1-yl)nonanoic acid?
The InChIKey is JALNGDLMEVSMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO3/c1-2-5-12(18)8-9-13(10-17(21)22)19-11-16(20)14-6-3-4-7-15(14)19/h3-4,6-7,11-13,20H,2,5,8-10H2,1H3,(H,21,22).
What are the key properties of 6-chloro-3-(3-hydroxyindol-1-yl)nonanoic acid?
6-chloro-3-(3-hydroxyindol-1-yl)nonanoic acid has a molecular weight of 323.82 g/mol, XLogP of 4.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3-hydroxyindol-1-yl)nonanoic acid is sourced from PubChem (CID 66643394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).