chloro 2-(1H-indol-3-yl)acetate

C10H8ClNO2 — CID 174694401

IUPACchloro 2-(1H-indol-3-yl)acetate
SMILESO=C(Cc1c[nH]c2ccccc12)OCl
InChIInChI=1S/C10H8ClNO2/c11-14-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2
InChIKeyFCUZGGQTEKQVRL-UHFFFAOYSA-N
MW209.63 g/mol
LogP2.41
Rot. Bonds2

About chloro 2-(1H-indol-3-yl)acetate

chloro 2-(1H-indol-3-yl)acetate (PubChem CID 174694401) has the molecular formula C10H8ClNO2 and a molecular weight of 209.63 g/mol. Its IUPAC name is chloro 2-(1H-indol-3-yl)acetate.

Molecular Properties

Compound Namechloro 2-(1H-indol-3-yl)acetate
PubChem CID174694401
Molecular FormulaC10H8ClNO2
Molecular Weight209.63 g/mol
Exact Mass209.02
IUPAC Namechloro 2-(1H-indol-3-yl)acetate
SMILESO=C(Cc1c[nH]c2ccccc12)OCl
InChIInChI=1S/C10H8ClNO2/c11-14-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2
InChIKeyFCUZGGQTEKQVRL-UHFFFAOYSA-N
XLogP2.41
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.63
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

prop-2-enyl 2-(1H-indol-3-yl)acetate
CID 14701449
[2-(1H-indol-3-yl)acetyl] butanoate
CID 175230662
[(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl] 2-(1H-indol-3-yl)acetate
CID 18335849
1-(1H-indol-3-yl)but-3-yn-2-one
CID 175799304
2,3,4-tris[[2-(1H-indol-3-yl)acetyl]oxy]butyl 2-(1H-indol-3-yl)acetate
CID 146458063
CID 87710053
CID 87710053
(2-fluorophenyl)methyl 2-(1H-indol-3-yl)acetate
CID 7665649
bis(3-(1H-indol-3-yl)-2-oxopropanoate);lead(2+)
CID 87710054
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633
2-(1H-indol-3-ylmethyl)prop-2-enoic acid
CID 10081533
(2-bromo-4-chlorophenyl) 2-(1H-indol-3-yl)acetate
CID 26212995
[(3aR,6aR)-6-[2-(1H-indol-3-yl)acetyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-(1H-indol-3-yl)acetate
CID 142492744

Frequently Asked Questions

What is the IUPAC name of chloro 2-(1H-indol-3-yl)acetate?
The IUPAC name of chloro 2-(1H-indol-3-yl)acetate (CID 174694401) is chloro 2-(1H-indol-3-yl)acetate.
What is the SMILES notation for chloro 2-(1H-indol-3-yl)acetate?
The canonical SMILES for chloro 2-(1H-indol-3-yl)acetate is O=C(Cc1c[nH]c2ccccc12)OCl.
What is the InChIKey of chloro 2-(1H-indol-3-yl)acetate?
The InChIKey is FCUZGGQTEKQVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO2/c11-14-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2.
What are the key properties of chloro 2-(1H-indol-3-yl)acetate?
chloro 2-(1H-indol-3-yl)acetate has a molecular weight of 209.63 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro 2-(1H-indol-3-yl)acetate is sourced from PubChem (CID 174694401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).