2-[(5-chloro-1H-indol-2-yl)oxy]acetic acid

C10H8ClNO3 — CID 152714071

IUPAC2-[(5-chloro-1H-indol-2-yl)oxy]acetic acid
SMILESO=C(O)COc1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C10H8ClNO3/c11-7-1-2-8-6(3-7)4-9(12-8)15-5-10(13)14/h1-4,12H,5H2,(H,13,14)
InChIKeyZUFLDAWMDKMEGP-UHFFFAOYSA-N
MW225.63 g/mol
LogP2.28
Rot. Bonds3

About 2-[(5-chloro-1H-indol-2-yl)oxy]acetic acid

2-[(5-chloro-1H-indol-2-yl)oxy]acetic acid (PubChem CID 152714071) has the molecular formula C10H8ClNO3 and a molecular weight of 225.63 g/mol. Its IUPAC name is 2-[(5-chloro-1H-indol-2-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(5-chloro-1H-indol-2-yl)oxy]acetic acid
PubChem CID152714071
Molecular FormulaC10H8ClNO3
Molecular Weight225.63 g/mol
Exact Mass225.02
IUPAC Name2-[(5-chloro-1H-indol-2-yl)oxy]acetic acid
SMILESO=C(O)COc1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C10H8ClNO3/c11-7-1-2-8-6(3-7)4-9(12-8)15-5-10(13)14/h1-4,12H,5H2,(H,13,14)
InChIKeyZUFLDAWMDKMEGP-UHFFFAOYSA-N
XLogP2.28
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.63
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7-chloronaphthalen-2-yl)oxyacetic acid
CID 154365176
5-chloro-1H-indole-2-carboxylic acid;ethane
CID 143173847
tris(2-(2,4-dichlorophenoxy)acetic acid);samarium
CID 164580360
sodium 2-(2,4-dichlorophenoxy)acetic acid
CID 91996937
5-chloro-1H-indole-2-carboxylate
CID 6933350
2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]acetic acid
CID 45408654
2-(bromomethyl)-5-chloro-1H-indole
CID 119086448
(2R)-3-(5-chloro-1H-indol-2-yl)-2-methylpropanoic acid
CID 96820552
calcium;2-(2,4-dichlorophenoxy)acetic acid;hydride
CID 173483555
bis(2-(4-chlorophenoxy)acetic acid);zinc
CID 11201418
methyl 2-(1H-indol-2-yloxy)acetate
CID 67824553
(5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 3661150

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1H-indol-2-yl)oxy]acetic acid?
The IUPAC name of 2-[(5-chloro-1H-indol-2-yl)oxy]acetic acid (CID 152714071) is 2-[(5-chloro-1H-indol-2-yl)oxy]acetic acid.
What is the SMILES notation for 2-[(5-chloro-1H-indol-2-yl)oxy]acetic acid?
The canonical SMILES for 2-[(5-chloro-1H-indol-2-yl)oxy]acetic acid is O=C(O)COc1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 2-[(5-chloro-1H-indol-2-yl)oxy]acetic acid?
The InChIKey is ZUFLDAWMDKMEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO3/c11-7-1-2-8-6(3-7)4-9(12-8)15-5-10(13)14/h1-4,12H,5H2,(H,13,14).
What are the key properties of 2-[(5-chloro-1H-indol-2-yl)oxy]acetic acid?
2-[(5-chloro-1H-indol-2-yl)oxy]acetic acid has a molecular weight of 225.63 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1H-indol-2-yl)oxy]acetic acid is sourced from PubChem (CID 152714071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).