propyl 2-(4-chloro-1H-indol-3-yl)acetate

C13H14ClNO2 — CID 71346867

IUPACpropyl 2-(4-chloro-1H-indol-3-yl)acetate
SMILESCCCOC(=O)Cc1c[nH]c2cccc(Cl)c12
InChIInChI=1S/C13H14ClNO2/c1-2-6-17-12(16)7-9-8-15-11-5-3-4-10(14)13(9)11/h3-5,8,15H,2,6-7H2,1H3
InChIKeyWLYNJPBOVOJHBD-UHFFFAOYSA-N
MW251.71 g/mol
LogP3.32
Rot. Bonds4

About propyl 2-(4-chloro-1H-indol-3-yl)acetate

propyl 2-(4-chloro-1H-indol-3-yl)acetate (PubChem CID 71346867) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is propyl 2-(4-chloro-1H-indol-3-yl)acetate.

Molecular Properties

Compound Namepropyl 2-(4-chloro-1H-indol-3-yl)acetate
PubChem CID71346867
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Namepropyl 2-(4-chloro-1H-indol-3-yl)acetate
SMILESCCCOC(=O)Cc1c[nH]c2cccc(Cl)c12
InChIInChI=1S/C13H14ClNO2/c1-2-6-17-12(16)7-9-8-15-11-5-3-4-10(14)13(9)11/h3-5,8,15H,2,6-7H2,1H3
InChIKeyWLYNJPBOVOJHBD-UHFFFAOYSA-N
XLogP3.32
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-2-(4-chloro-1H-indol-3-yl)acetamide
CID 110848452
2-(4-chloro-1H-indol-3-yl)-N-prop-2-ynylacetamide
CID 136544621
(2R)-3-(4-chloro-1H-indol-3-yl)-2-[(3-ethoxy-3-oxopropanoyl)amino]propanoic acid
CID 154350626
3-(4-chloro-1H-indol-3-yl)-2-[(3-ethoxy-3-oxopropanoyl)amino]propanoic acid
CID 131751011
1-(4-chloro-1H-indol-3-yl)propan-2-amine
CID 12832
ethyl 2-amino-3-[4-(2-ethoxy-2-oxoethyl)-1H-indol-3-yl]propanoate
CID 15172351
2-(4-chloro-1H-indol-3-yl)ethanone;yttrium
CID 166553982
ethyl (2S)-2-(4-chloro-1H-indol-3-yl)-3,3,3-trifluoro-2-hydroxypropanoate
CID 10853230
CID 89114350
CID 89114350
2-(2,6-dichlorophenoxy)ethyl 3-(1H-indol-3-yl)propanoate
CID 2472474
ethyl 2-[2-(2-oxo-2-propoxyethyl)phenyl]acetate
CID 140674199
2-(4-methyl-1H-indol-3-yl)acetamide
CID 24905096

Frequently Asked Questions

What is the IUPAC name of propyl 2-(4-chloro-1H-indol-3-yl)acetate?
The IUPAC name of propyl 2-(4-chloro-1H-indol-3-yl)acetate (CID 71346867) is propyl 2-(4-chloro-1H-indol-3-yl)acetate.
What is the SMILES notation for propyl 2-(4-chloro-1H-indol-3-yl)acetate?
The canonical SMILES for propyl 2-(4-chloro-1H-indol-3-yl)acetate is CCCOC(=O)Cc1c[nH]c2cccc(Cl)c12.
What is the InChIKey of propyl 2-(4-chloro-1H-indol-3-yl)acetate?
The InChIKey is WLYNJPBOVOJHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2/c1-2-6-17-12(16)7-9-8-15-11-5-3-4-10(14)13(9)11/h3-5,8,15H,2,6-7H2,1H3.
What are the key properties of propyl 2-(4-chloro-1H-indol-3-yl)acetate?
propyl 2-(4-chloro-1H-indol-3-yl)acetate has a molecular weight of 251.71 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(4-chloro-1H-indol-3-yl)acetate is sourced from PubChem (CID 71346867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).