ethyl 4-hydroxy-1H-indole-6-carboxylate

C11H11NO3 — CID 53399512

IUPACethyl 4-hydroxy-1H-indole-6-carboxylate
SMILESCCOC(=O)c1cc(O)c2cc[nH]c2c1
InChIInChI=1S/C11H11NO3/c1-2-15-11(14)7-5-9-8(3-4-12-9)10(13)6-7/h3-6,12-13H,2H2,1H3
InChIKeyWKJZWTBZQAKTBO-UHFFFAOYSA-N
MW205.21 g/mol
LogP2.05
Rot. Bonds2

About ethyl 4-hydroxy-1H-indole-6-carboxylate

ethyl 4-hydroxy-1H-indole-6-carboxylate (PubChem CID 53399512) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is ethyl 4-hydroxy-1H-indole-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-1H-indole-6-carboxylate
PubChem CID53399512
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Nameethyl 4-hydroxy-1H-indole-6-carboxylate
SMILESCCOC(=O)c1cc(O)c2cc[nH]c2c1
InChIInChI=1S/C11H11NO3/c1-2-15-11(14)7-5-9-8(3-4-12-9)10(13)6-7/h3-6,12-13H,2H2,1H3
InChIKeyWKJZWTBZQAKTBO-UHFFFAOYSA-N
XLogP2.05
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 6-benzoyl-1H-indole-4-carboxylate
CID 135007756
ethyl 6-amino-1H-indole-4-carboxylate
CID 53435938
methyl 4-(2-ethoxyethyl)-1H-indole-6-carboxylate
CID 91334218
ethyl 1-hydroxyphenanthrene-3-carboxylate
CID 101488924
ethyl 4-amino-3,5-dihydroxybenzoate
CID 130058658
ethyl 5-(1H-indol-4-yl)pyridine-3-carboxylate
CID 10491979
ethyl 4-bromo-3,5-dihydroxybenzoate
CID 57419684
ethyl 4-hydroxy-6-methylsulfanylnaphthalene-2-carboxylate
CID 73013817
ethyl 6-chloro-4-hydroxynaphthalene-2-carboxylate
CID 73013854
ethyl 4-ethenyl-3,5-dihydroxybenzoate
CID 102254331
ethyl 8-hydroxyisoquinoline-6-carboxylate
CID 137117771
ethyl 4-amino-3-hydroxybenzoate
CID 12784565

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-1H-indole-6-carboxylate?
The IUPAC name of ethyl 4-hydroxy-1H-indole-6-carboxylate (CID 53399512) is ethyl 4-hydroxy-1H-indole-6-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-1H-indole-6-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-1H-indole-6-carboxylate is CCOC(=O)c1cc(O)c2cc[nH]c2c1.
What is the InChIKey of ethyl 4-hydroxy-1H-indole-6-carboxylate?
The InChIKey is WKJZWTBZQAKTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-2-15-11(14)7-5-9-8(3-4-12-9)10(13)6-7/h3-6,12-13H,2H2,1H3.
What are the key properties of ethyl 4-hydroxy-1H-indole-6-carboxylate?
ethyl 4-hydroxy-1H-indole-6-carboxylate has a molecular weight of 205.21 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-1H-indole-6-carboxylate is sourced from PubChem (CID 53399512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).