ethyl 1-(furan-2-ylmethyl)-5-hydroxy-2-methylindole-3-carboxylate

C17H17NO4 — CID 2883813

IUPACethyl 1-(furan-2-ylmethyl)-5-hydroxy-2-methylindole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(Cc2ccco2)c2ccc(O)cc12
InChIInChI=1S/C17H17NO4/c1-3-21-17(20)16-11(2)18(10-13-5-4-8-22-13)15-7-6-12(19)9-14(15)16/h4-9,19H,3,10H2,1-2H3
InChIKeyVSCFCLMHARXISZ-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.47
Rot. Bonds4

About ethyl 1-(furan-2-ylmethyl)-5-hydroxy-2-methylindole-3-carboxylate

ethyl 1-(furan-2-ylmethyl)-5-hydroxy-2-methylindole-3-carboxylate (PubChem CID 2883813) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is ethyl 1-(furan-2-ylmethyl)-5-hydroxy-2-methylindole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(furan-2-ylmethyl)-5-hydroxy-2-methylindole-3-carboxylate
PubChem CID2883813
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Nameethyl 1-(furan-2-ylmethyl)-5-hydroxy-2-methylindole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(Cc2ccco2)c2ccc(O)cc12
InChIInChI=1S/C17H17NO4/c1-3-21-17(20)16-11(2)18(10-13-5-4-8-22-13)15-7-6-12(19)9-14(15)16/h4-9,19H,3,10H2,1-2H3
InChIKeyVSCFCLMHARXISZ-UHFFFAOYSA-N
XLogP3.47
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Mecarbinate
CID 616236
Ethyl 1-benzyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate
CID 628089
1-[2-(3,4-Dimethoxyphenyl)ethyl]-5-methoxy-2-methylindole-3-carboxylic acid
CID 1082708
3-acetyl-1-(4-ethoxyphenyl)-2-methyl-1H-indol-5-yl acetate
CID 1150669
Duometacin
CID 71912
1-[1-(4-Ethoxyphenyl)-5-hydroxy-2-methylindol-3-yl]ethanone
CID 786617
1-(4-ethoxyphenyl)-5-methoxy-2-methyl-1H-indole-3-carboxylic acid
CID 742160
5-Methoxy-2-methyl-1-phenyl-1H-indole-3-carboxylic acid
CID 916259
Ethyl 5-hydroxy-2-methyl-1-phenyl-1H-indole-3-carboxylate
CID 626459
3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl acetate
CID 711025
3-acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1H-indol-5-yl 2-furoate
CID 1223278
Ethyl 1-ethyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate
CID 618997

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(furan-2-ylmethyl)-5-hydroxy-2-methylindole-3-carboxylate?
The IUPAC name of ethyl 1-(furan-2-ylmethyl)-5-hydroxy-2-methylindole-3-carboxylate (CID 2883813) is ethyl 1-(furan-2-ylmethyl)-5-hydroxy-2-methylindole-3-carboxylate.
What is the SMILES notation for ethyl 1-(furan-2-ylmethyl)-5-hydroxy-2-methylindole-3-carboxylate?
The canonical SMILES for ethyl 1-(furan-2-ylmethyl)-5-hydroxy-2-methylindole-3-carboxylate is CCOC(=O)c1c(C)n(Cc2ccco2)c2ccc(O)cc12.
What is the InChIKey of ethyl 1-(furan-2-ylmethyl)-5-hydroxy-2-methylindole-3-carboxylate?
The InChIKey is VSCFCLMHARXISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-3-21-17(20)16-11(2)18(10-13-5-4-8-22-13)15-7-6-12(19)9-14(15)16/h4-9,19H,3,10H2,1-2H3.
What are the key properties of ethyl 1-(furan-2-ylmethyl)-5-hydroxy-2-methylindole-3-carboxylate?
ethyl 1-(furan-2-ylmethyl)-5-hydroxy-2-methylindole-3-carboxylate has a molecular weight of 299.33 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(furan-2-ylmethyl)-5-hydroxy-2-methylindole-3-carboxylate is sourced from PubChem (CID 2883813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).