ethyl 3-hydroxy-4-(6-methylindol-1-yl)butanoate

C15H19NO3 — CID 82777232

IUPACethyl 3-hydroxy-4-(6-methylindol-1-yl)butanoate
SMILESCCOC(=O)CC(O)Cn1ccc2ccc(C)cc21
InChIInChI=1S/C15H19NO3/c1-3-19-15(18)9-13(17)10-16-7-6-12-5-4-11(2)8-14(12)16/h4-8,13,17H,3,9-10H2,1-2H3
InChIKeyHJWNUFWQUDIGDC-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.26
Rot. Bonds5

About ethyl 3-hydroxy-4-(6-methylindol-1-yl)butanoate

ethyl 3-hydroxy-4-(6-methylindol-1-yl)butanoate (PubChem CID 82777232) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is ethyl 3-hydroxy-4-(6-methylindol-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-4-(6-methylindol-1-yl)butanoate
PubChem CID82777232
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Nameethyl 3-hydroxy-4-(6-methylindol-1-yl)butanoate
SMILESCCOC(=O)CC(O)Cn1ccc2ccc(C)cc21
InChIInChI=1S/C15H19NO3/c1-3-19-15(18)9-13(17)10-16-7-6-12-5-4-11(2)8-14(12)16/h4-8,13,17H,3,9-10H2,1-2H3
InChIKeyHJWNUFWQUDIGDC-UHFFFAOYSA-N
XLogP2.26
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-4-(6-methylindol-1-yl)butanoate?
The IUPAC name of ethyl 3-hydroxy-4-(6-methylindol-1-yl)butanoate (CID 82777232) is ethyl 3-hydroxy-4-(6-methylindol-1-yl)butanoate.
What is the SMILES notation for ethyl 3-hydroxy-4-(6-methylindol-1-yl)butanoate?
The canonical SMILES for ethyl 3-hydroxy-4-(6-methylindol-1-yl)butanoate is CCOC(=O)CC(O)Cn1ccc2ccc(C)cc21.
What is the InChIKey of ethyl 3-hydroxy-4-(6-methylindol-1-yl)butanoate?
The InChIKey is HJWNUFWQUDIGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-3-19-15(18)9-13(17)10-16-7-6-12-5-4-11(2)8-14(12)16/h4-8,13,17H,3,9-10H2,1-2H3.
What are the key properties of ethyl 3-hydroxy-4-(6-methylindol-1-yl)butanoate?
ethyl 3-hydroxy-4-(6-methylindol-1-yl)butanoate has a molecular weight of 261.32 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-4-(6-methylindol-1-yl)butanoate is sourced from PubChem (CID 82777232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).