ethyl 2-hydroxy-6-methoxy-3H-indene-1-carboxylate

C13H14O4 — CID 66741711

IUPACethyl 2-hydroxy-6-methoxy-3H-indene-1-carboxylate
SMILESCCOC(=O)C1=C(O)Cc2ccc(OC)cc21
InChIInChI=1S/C13H14O4/c1-3-17-13(15)12-10-7-9(16-2)5-4-8(10)6-11(12)14/h4-5,7,14H,3,6H2,1-2H3
InChIKeyADMDLMFIDFOSSF-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.08
Rot. Bonds3

About ethyl 2-hydroxy-6-methoxy-3H-indene-1-carboxylate

ethyl 2-hydroxy-6-methoxy-3H-indene-1-carboxylate (PubChem CID 66741711) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is ethyl 2-hydroxy-6-methoxy-3H-indene-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-hydroxy-6-methoxy-3H-indene-1-carboxylate
PubChem CID66741711
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Nameethyl 2-hydroxy-6-methoxy-3H-indene-1-carboxylate
SMILESCCOC(=O)C1=C(O)Cc2ccc(OC)cc21
InChIInChI=1S/C13H14O4/c1-3-17-13(15)12-10-7-9(16-2)5-4-8(10)6-11(12)14/h4-5,7,14H,3,6H2,1-2H3
InChIKeyADMDLMFIDFOSSF-UHFFFAOYSA-N
XLogP2.08
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 56651449
ethyl (2R)-2-amino-5-methoxy-1,3-dihydroindene-2-carboxylate
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ethyl 2-bromo-4-methoxybenzoate
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methyl 2-(6-methoxy-2-methyl-3H-inden-1-yl)propanoate
CID 54220007
ethyl 7-methoxy-10-oxo-9H-thioxanthene-1-carboxylate
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ethyl 2,4-dihydroxy-6-(3-methoxyphenyl)benzoate
CID 10779697
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-6-methoxy-3H-indene-1-carboxylate?
The IUPAC name of ethyl 2-hydroxy-6-methoxy-3H-indene-1-carboxylate (CID 66741711) is ethyl 2-hydroxy-6-methoxy-3H-indene-1-carboxylate.
What is the SMILES notation for ethyl 2-hydroxy-6-methoxy-3H-indene-1-carboxylate?
The canonical SMILES for ethyl 2-hydroxy-6-methoxy-3H-indene-1-carboxylate is CCOC(=O)C1=C(O)Cc2ccc(OC)cc21.
What is the InChIKey of ethyl 2-hydroxy-6-methoxy-3H-indene-1-carboxylate?
The InChIKey is ADMDLMFIDFOSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O4/c1-3-17-13(15)12-10-7-9(16-2)5-4-8(10)6-11(12)14/h4-5,7,14H,3,6H2,1-2H3.
What are the key properties of ethyl 2-hydroxy-6-methoxy-3H-indene-1-carboxylate?
ethyl 2-hydroxy-6-methoxy-3H-indene-1-carboxylate has a molecular weight of 234.25 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-6-methoxy-3H-indene-1-carboxylate is sourced from PubChem (CID 66741711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).