ethyl 2-(4-propan-2-yloxyindol-1-yl)acetate

C15H19NO3 — CID 83162471

IUPACethyl 2-(4-propan-2-yloxyindol-1-yl)acetate
SMILESCCOC(=O)Cn1ccc2c(OC(C)C)cccc21
InChIInChI=1S/C15H19NO3/c1-4-18-15(17)10-16-9-8-12-13(16)6-5-7-14(12)19-11(2)3/h5-9,11H,4,10H2,1-3H3
InChIKeyWEGVJSMEXFDRKY-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.99
Rot. Bonds5

About ethyl 2-(4-propan-2-yloxyindol-1-yl)acetate

ethyl 2-(4-propan-2-yloxyindol-1-yl)acetate (PubChem CID 83162471) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is ethyl 2-(4-propan-2-yloxyindol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-propan-2-yloxyindol-1-yl)acetate
PubChem CID83162471
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Nameethyl 2-(4-propan-2-yloxyindol-1-yl)acetate
SMILESCCOC(=O)Cn1ccc2c(OC(C)C)cccc21
InChIInChI=1S/C15H19NO3/c1-4-18-15(17)10-16-9-8-12-13(16)6-5-7-14(12)19-11(2)3/h5-9,11H,4,10H2,1-3H3
InChIKeyWEGVJSMEXFDRKY-UHFFFAOYSA-N
XLogP2.99
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4-methoxyindol-1-yl)acetate
CID 83162389
N-cyclopropyl-N-methyl-2-(4-propan-2-yloxyindol-1-yl)acetamide
CID 83165600
N-(2-methoxyethyl)-2-(4-propan-2-yloxyindol-1-yl)acetamide
CID 83165472
5-(4-propan-2-yloxyindol-1-yl)pentanoic acid
CID 83163319
(Z)-2-methyl-4-(4-propan-2-yloxyindol-1-yl)but-2-enoic acid
CID 83163478
ethyl 2-(4-selanylidenequinolin-1-yl)acetate
CID 11109160
3-(4-propan-2-yloxyindol-1-yl)propane-1,2-diol
CID 83174239
2-(4-ethoxyindol-1-yl)acetic acid
CID 83162473
1-(3-methylbut-3-enyl)-4-propan-2-yloxyindole
CID 114476720
3-methylbutyl 2-(4-phenylmethoxyindol-1-yl)acetate
CID 84573126
propan-2-yl 2-(4-fluoroindol-1-yl)acetate
CID 82793078
4-propan-2-yloxy-1-(pyrimidin-2-ylmethyl)indole
CID 83174058

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-propan-2-yloxyindol-1-yl)acetate?
The IUPAC name of ethyl 2-(4-propan-2-yloxyindol-1-yl)acetate (CID 83162471) is ethyl 2-(4-propan-2-yloxyindol-1-yl)acetate.
What is the SMILES notation for ethyl 2-(4-propan-2-yloxyindol-1-yl)acetate?
The canonical SMILES for ethyl 2-(4-propan-2-yloxyindol-1-yl)acetate is CCOC(=O)Cn1ccc2c(OC(C)C)cccc21.
What is the InChIKey of ethyl 2-(4-propan-2-yloxyindol-1-yl)acetate?
The InChIKey is WEGVJSMEXFDRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-4-18-15(17)10-16-9-8-12-13(16)6-5-7-14(12)19-11(2)3/h5-9,11H,4,10H2,1-3H3.
What are the key properties of ethyl 2-(4-propan-2-yloxyindol-1-yl)acetate?
ethyl 2-(4-propan-2-yloxyindol-1-yl)acetate has a molecular weight of 261.32 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-propan-2-yloxyindol-1-yl)acetate is sourced from PubChem (CID 83162471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).