ethyl 4-(5-chloro-1H-indol-3-yl)butanoate

C14H16ClNO2 — CID 18175108

IUPACethyl 4-(5-chloro-1H-indol-3-yl)butanoate
SMILESCCOC(=O)CCCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C14H16ClNO2/c1-2-18-14(17)5-3-4-10-9-16-13-7-6-11(15)8-12(10)13/h6-9,16H,2-5H2,1H3
InChIKeyOIPVSXWYNSFAIM-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.71
Rot. Bonds5

About ethyl 4-(5-chloro-1H-indol-3-yl)butanoate

ethyl 4-(5-chloro-1H-indol-3-yl)butanoate (PubChem CID 18175108) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is ethyl 4-(5-chloro-1H-indol-3-yl)butanoate.

Molecular Properties

Compound Nameethyl 4-(5-chloro-1H-indol-3-yl)butanoate
PubChem CID18175108
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Nameethyl 4-(5-chloro-1H-indol-3-yl)butanoate
SMILESCCOC(=O)CCCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C14H16ClNO2/c1-2-18-14(17)5-3-4-10-9-16-13-7-6-11(15)8-12(10)13/h6-9,16H,2-5H2,1H3
InChIKeyOIPVSXWYNSFAIM-UHFFFAOYSA-N
XLogP3.71
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-(5-ethoxycarbonyloxy-1H-indol-3-yl)butanoate
CID 158377062
ethyl 4-(1H-indol-3-yl)butanoate;hydrochloride
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ethyl 10-(1H-indol-3-yl)-7-oxodecanoate
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4-(5-chloro-1H-indol-3-yl)butan-2-one
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3-(5-chloro-1H-indol-3-yl)propan-1-amine;hydrochloride
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ethyl 4-[2-(5-chloro-1H-indol-3-yl)acetyl]piperazine-1-carboxylate
CID 110413453
(3-chlorophenyl)methyl 4-(1H-indol-3-yl)butanoate
CID 7541533
3-(5-chloro-1H-indol-3-yl)-N-ethylpropan-1-amine
CID 96674281
2-(5-chloro-1H-indol-3-yl)ethanamine chloride
CID 43829444
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CID 90747819
2-(5-chloro-1H-indol-3-yl)-N-methoxyacetamide
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ethyl 4-(4-chlorophenyl)butanoate
CID 14921100

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5-chloro-1H-indol-3-yl)butanoate?
The IUPAC name of ethyl 4-(5-chloro-1H-indol-3-yl)butanoate (CID 18175108) is ethyl 4-(5-chloro-1H-indol-3-yl)butanoate.
What is the SMILES notation for ethyl 4-(5-chloro-1H-indol-3-yl)butanoate?
The canonical SMILES for ethyl 4-(5-chloro-1H-indol-3-yl)butanoate is CCOC(=O)CCCc1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of ethyl 4-(5-chloro-1H-indol-3-yl)butanoate?
The InChIKey is OIPVSXWYNSFAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-2-18-14(17)5-3-4-10-9-16-13-7-6-11(15)8-12(10)13/h6-9,16H,2-5H2,1H3.
What are the key properties of ethyl 4-(5-chloro-1H-indol-3-yl)butanoate?
ethyl 4-(5-chloro-1H-indol-3-yl)butanoate has a molecular weight of 265.74 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-chloro-1H-indol-3-yl)butanoate is sourced from PubChem (CID 18175108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).