ethyl 2-(5-hydroxy-1-propan-2-ylindol-2-yl)-2-oxoacetate

C15H17NO4 — CID 115072574

IUPACethyl 2-(5-hydroxy-1-propan-2-ylindol-2-yl)-2-oxoacetate
SMILESCCOC(=O)C(=O)c1cc2cc(O)ccc2n1C(C)C
InChIInChI=1S/C15H17NO4/c1-4-20-15(19)14(18)13-8-10-7-11(17)5-6-12(10)16(13)9(2)3/h5-9,17H,4H2,1-3H3
InChIKeyILDWYKBGHQPDCK-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.67
Rot. Bonds4

About ethyl 2-(5-hydroxy-1-propan-2-ylindol-2-yl)-2-oxoacetate

ethyl 2-(5-hydroxy-1-propan-2-ylindol-2-yl)-2-oxoacetate (PubChem CID 115072574) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is ethyl 2-(5-hydroxy-1-propan-2-ylindol-2-yl)-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-(5-hydroxy-1-propan-2-ylindol-2-yl)-2-oxoacetate
PubChem CID115072574
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Nameethyl 2-(5-hydroxy-1-propan-2-ylindol-2-yl)-2-oxoacetate
SMILESCCOC(=O)C(=O)c1cc2cc(O)ccc2n1C(C)C
InChIInChI=1S/C15H17NO4/c1-4-20-15(19)14(18)13-8-10-7-11(17)5-6-12(10)16(13)9(2)3/h5-9,17H,4H2,1-3H3
InChIKeyILDWYKBGHQPDCK-UHFFFAOYSA-N
XLogP2.67
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(6-hydroxynaphthalen-2-yl)-2-oxoacetate
CID 53231119
methyl 2-amino-2-(5-hydroxy-1-propan-2-ylindol-2-yl)acetate
CID 115072151
6-hydroxy-1-propan-2-ylindole-2-carboxylic acid
CID 83917476
ethyl 2-(5-hydroxyindol-1-yl)prop-2-enoate
CID 89190530
ethyl 2-(4-hydroxyphenyl)-2-oxoacetate
CID 11715332
ethyl 1-[2-(azetidin-1-yl)-2-oxoethyl]-5-hydroxyindole-2-carboxylate
CID 142737066
ethyl 3-(5-hydroxyindol-1-yl)propanoate
CID 24971969
ethyl 4-[1-propan-2-yl-5-(4-propan-2-yl-1,4-diazepane-1-carbonyl)indole-2-carbonyl]piperazine-1-carboxylate
CID 24989543
benzene-1,2,4-triol;diethyl 2-methylpropanedioate
CID 174557220
ethyl 2-(1-methylindazol-5-yl)-2-oxoacetate
CID 86700316
ethyl 2-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)-2-oxoacetate
CID 117378873
ethyl 2-oxo-2-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)acetate
CID 117407563

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-hydroxy-1-propan-2-ylindol-2-yl)-2-oxoacetate?
The IUPAC name of ethyl 2-(5-hydroxy-1-propan-2-ylindol-2-yl)-2-oxoacetate (CID 115072574) is ethyl 2-(5-hydroxy-1-propan-2-ylindol-2-yl)-2-oxoacetate.
What is the SMILES notation for ethyl 2-(5-hydroxy-1-propan-2-ylindol-2-yl)-2-oxoacetate?
The canonical SMILES for ethyl 2-(5-hydroxy-1-propan-2-ylindol-2-yl)-2-oxoacetate is CCOC(=O)C(=O)c1cc2cc(O)ccc2n1C(C)C.
What is the InChIKey of ethyl 2-(5-hydroxy-1-propan-2-ylindol-2-yl)-2-oxoacetate?
The InChIKey is ILDWYKBGHQPDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-4-20-15(19)14(18)13-8-10-7-11(17)5-6-12(10)16(13)9(2)3/h5-9,17H,4H2,1-3H3.
What are the key properties of ethyl 2-(5-hydroxy-1-propan-2-ylindol-2-yl)-2-oxoacetate?
ethyl 2-(5-hydroxy-1-propan-2-ylindol-2-yl)-2-oxoacetate has a molecular weight of 275.30 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-hydroxy-1-propan-2-ylindol-2-yl)-2-oxoacetate is sourced from PubChem (CID 115072574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).